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

Systemtic Name: ethyl (3aS,5aR,9aS)-4-butyl-3-oxidanylidene-2-pent-4-enyl-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylate Openeye Name: ethyl (3aS,5aR,9aS)-4-butyl-3-oxo-2-pent-4-enyl-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylate CAS Name: (3aS,5aR,9aS)-4-butyl-3-oxo-2-pent-4-enyl-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,5aR,9aS)-4-butyl-3-oxo-2-pent-4-enyl-5,5a-dihydro-1H-pyrrolo[3,4-i]isoindole-3a-carboxylate Traditional Name: (3aS,5aR,9aS)-4-butyl-3-keto-2-pent-4-enyl-5,5a-dihydro-1H-pyrrol[3,4-i]isoindole-3a-carboxylic acid ethyl ester Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2C=CC=CC23C1(C(=O)N(C3)CCCC=C)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O3/c1-4-7-11-14-23-17-21-13-10-9-12-18(21)16-24(15-8-5-2)22(21,19(23)25)20(26)27-6-3/h4,9-10,12-13,18H,1,5-8,11,14-17H2,2-3H3/t18-,21+,22-/m0/s1