dimethyl 2-[3-[(3R,4S,6R,7R,8S,8aS)-8-(azocan-1-ylcarbonyl)-6-[4-(2-hydroxyethyloxy)phenyl]-1'-(2-methoxyethoxycarbonyl)-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-(azocan-1-ylcarbonyl)-6-[4-(2-hydroxyethyloxy)phenyl]-1'-(2-methoxyethoxycarbonyl)-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-(azocane-1-carbonyl)-6-[4-(2-hydroxyethoxy)phenyl]-1'-(2-methoxyethoxycarbonyl)-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-[1-azocanyl(oxo)methyl]-6-[4-(2-hydroxyethoxy)phenyl]-1'-[2-methoxyethoxy(oxo)methyl]-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-(azocane-1-carbonyl)-6-[4-(2-hydroxyethoxy)phenyl]-1'-(2-methoxyethoxycarbonyl)-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-(azocane-1-carbonyl)-6-[4-(2-hydroxyethoxy)phenyl]-1,2'-diketo-1'-(2-methoxyethoxycarbonyl)-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: C54H57N3O13 MolecularWeight: 956.04268

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)C3(C1=O)C(C4C(=O)OC(C(N4C3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCCCCCC8

Isomeric SMILES

COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCCCCCC8

InChI

InChI=1S/C54H57N3O13/c1-65-32-33-69-53(64)56-42-27-22-35(16-15-21-40(49(60)66-2)50(61)67-3)34-41(42)54(52(56)63)43(48(59)55-28-13-5-4-6-14-29-55)45-51(62)70-46(37-19-11-8-12-20-37)44(36-17-9-7-10-18-36)57(45)47(54)38-23-25-39(26-24-38)68-31-30-58/h7-12,17-20,22-27,34,40,43-47,58H,4-6,13-14,21,28-33H2,1-3H3/t43-,44-,45-,46+,47+,54-/m0/s1