(4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-8-(azocan-1-ylcarbonyl)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-8-(azocan-1-ylcarbonyl)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethyloxy)phenyl]-1,2'-bis(oxidanylidene)-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate Openeye Name: (4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-8-(azocane-1-carbonyl)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carboxylate CAS Name: (3R,4S,6R,7R,8S,8aS)-8-[1-azocanyl(oxo)methyl]-5'-[2-(1-cyclohexenyl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenyl-1'-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (3R,4S,6R,7R,8S,8aS)-8-(azocane-1-carbonyl)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-dioxo-3,4-diphenylspiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indole]-1'-carboxylate Traditional Name: (3R,4S,6R,7R,8S,8aS)-8-(azocane-1-carbonyl)-5'-[2-(cyclohexen-1-yl)ethynyl]-6-[2-(2-hydroxyethoxy)phenyl]-1,2'-diketo-3,4-diphenyl-spiro[4,6,8,8a-tetrahydro-3H-pyrrolo[2,1-c][1,4]oxazine-7,3'-indoline]-1'-carboxylic acid (4-nitrobenzyl) ester Formula: C58H56N4O10 MolecularWeight: 969.08604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)C2C3C(=O)OC(C(N3C(C24C5=C(C=CC(=C5)C#CC6=CCCCC6)N(C4=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8OCCO)C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

C1CCCN(CCC1)C(=O)[C@@H]2[C@H]3C(=O)O[C@@H]([C@@H](N3[C@@H]([C@]24C5=C(C=CC(=C5)C#CC6=CCCCC6)N(C4=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=CC=C8OCCO)C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C58H56N4O10/c63-35-36-70-48-24-14-13-23-45(48)53-58(46-37-40(26-25-39-17-7-4-8-18-39)29-32-47(46)60(56(58)66)57(67)71-38-41-27-30-44(31-28-41)62(68)69)49(54(64)59-33-15-2-1-3-16-34-59)51-55(65)72-52(43-21-11-6-12-22-43)50(61(51)53)42-19-9-5-10-20-42/h5-6,9-14,17,19-24,27-32,37,49-53,63H,1-4,7-8,15-16,18,33-36,38H2/t49-,50-,51-,52+,53+,58-/m0/s1