ethyl (3aS,5aR,9aS)-4-butyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylate

Systemtic Name: ethyl (3aS,5aR,9aS)-4-butyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylate Openeye Name: ethyl (3aS,5aR,9aS)-4-butyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylate CAS Name: (3aS,5aR,9aS)-4-butyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,5aR,9aS)-4-butyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-oxo-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylate Traditional Name: (3aS,5aR,9aS)-4-butyl-3-keto-7-methoxy-2-p-anisyl-5,5a-dihydro-1H-pyrrol[3,4-i]isoindole-3a-carboxylic acid ethyl ester Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2C=C(C=CC23C1(C(=O)N(C3)CC4=CC=C(C=C4)OC)C(=O)OCC)OC

Isomeric SMILES

CCCCN1C[C@@H]2C=C(C=C[C@]23[C@]1(C(=O)N(C3)CC4=CC=C(C=C4)OC)C(=O)OCC)OC

InChI

InChI=1S/C26H34N2O5/c1-5-7-14-28-17-20-15-22(32-4)12-13-25(20)18-27(16-19-8-10-21(31-3)11-9-19)23(29)26(25,28)24(30)33-6-2/h8-13,15,20H,5-7,14,16-18H2,1-4H3/t20-,25+,26-/m0/s1