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

Systemtic Name: ethyl (3aS,5aR,9aS)-4-butyl-3-oxidanylidene-2-(phenylmethyl)-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylate Openeye Name: ethyl (3aS,5aR,9aS)-2-benzyl-4-butyl-3-oxo-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylate CAS Name: (3aS,5aR,9aS)-4-butyl-3-oxo-2-(phenylmethyl)-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,5aR,9aS)-2-benzyl-4-butyl-3-oxo-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylate Traditional Name: (3aS,5aR,9aS)-2-benzyl-4-butyl-3-keto-5,5a-dihydro-1H-pyrrol[3,4-i]isoindole-3a-carboxylic acid ethyl ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3/c1-3-5-15-26-17-20-13-9-10-14-23(20)18-25(16-19-11-7-6-8-12-19)21(27)24(23,26)22(28)29-4-2/h6-14,20H,3-5,15-18H2,1-2H3/t20-,23+,24-/m0/s1