(3aS,6R,6aS,10aR,11aS,11bR)-6-(2-methoxy-4-oxidanyl-phenyl)-6a,9-diphenyl-2-[1-(phenylmethyl)piperidin-4-yl]-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone

Systemtic Name: (3aS,6R,6aS,10aR,11aS,11bR)-6-(2-methoxy-4-oxidanyl-phenyl)-6a,9-diphenyl-2-[1-(phenylmethyl)piperidin-4-yl]-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Openeye Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(1-benzyl-4-piperidyl)-6-(4-hydroxy-2-methoxy-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone CAS Name: (3aS,6R,6aS,10aR,11aS,11bR)-6-(4-hydroxy-2-methoxyphenyl)-6a,9-diphenyl-2-[1-(phenylmethyl)-4-piperidinyl]-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone IUPAC Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(1-benzylpiperidin-4-yl)-6-(4-hydroxy-2-methoxyphenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphtho[6,7-e]isoindole-1,3,7,10-tetrone Traditional Name: (3aS,6R,6aS,10aR,11aS,11bR)-2-(1-benzyl-4-piperidyl)-6-(4-hydroxy-2-methoxy-phenyl)-6a,9-diphenyl-4,6,10a,11,11a,11b-hexahydro-3aH-naphth[6,7-e]isoindole-1,3,7,10-diquinone Formula: C47H44N2O6 MolecularWeight: 732.86206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)O)C2C3=CCC4C(C3CC5C2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8CCN(CC8)CC9=CC=CC=C9

Isomeric SMILES

COC1=C(C=CC(=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8CCN(CC8)CC9=CC=CC=C9

InChI

InChI=1S/C47H44N2O6/c1-55-40-25-33(50)17-18-35(40)43-34-19-20-36-42(46(54)49(45(36)53)32-21-23-48(24-22-32)28-29-11-5-2-6-12-29)38(34)26-39-44(52)37(30-13-7-3-8-14-30)27-41(51)47(39,43)31-15-9-4-10-16-31/h2-19,25,27,32,36,38-39,42-43,50H,20-24,26,28H2,1H3/t36-,38+,39-,42-,43+,47-/m0/s1