dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-5'-yl]prop-2-ynyl]propanedioate

Systemtic Name: dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-5'-yl]prop-2-ynyl]propanedioate Openeye Name: dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-[2-(2-hydroxyethoxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-dioxo-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-5'-yl]prop-2-ynyl]propanedioate CAS Name: 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-6-[2-(2-hydroxyethoxy)phenyl]-1'-[(4-nitrophenyl)methoxy-oxomethyl]-1,2'-dioxo-3,4-diphenyl-5'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]yl]prop-2-ynyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-[2-(2-hydroxyethoxy)phenyl]-1'-[(4-nitrophenyl)methoxycarbonyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-5'-yl]prop-2-ynyl]propanedioate Traditional Name: 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-diketo-1'-(4-nitrobenzyl)oxycarbonyl-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-5'-yl]prop-2-ynyl]malonic acid dimethyl ester Formula: C62H56N4O16 MolecularWeight: 1113.12524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3C4C(=O)OC(C(N4C(C35C6=C(C=CC(=C6)C#CCC(C(=O)OC)C(=O)OC)N(C5=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8OCCO)C9=CC=CC=C9)C1=CC=CC=C1)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)[C@@H]3[C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]([C@]35C6=C(C=CC(=C6)C#CCC(C(=O)OC)C(=O)OC)N(C5=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8OCCO)C9=CC=CC=C9)C1=CC=CC=C1)OC

InChI

InChI=1S/C62H56N4O16/c1-76-49-33-41-28-29-63(35-42(41)34-50(49)77-2)56(68)51-53-59(71)82-54(40-17-9-6-10-18-40)52(39-15-7-5-8-16-39)65(53)55(44-19-11-12-21-48(44)80-31-30-67)62(51)46-32-37(14-13-20-45(57(69)78-3)58(70)79-4)24-27-47(46)64(60(62)72)61(73)81-36-38-22-25-43(26-23-38)66(74)75/h5-12,15-19,21-27,32-34,45,51-55,67H,20,28-31,35-36H2,1-4H3/t51-,52-,53-,54+,55+,62-/m0/s1