[(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl 4-(2-methylpropyl)benzoate

Systemtic Name: [(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxidanylidene-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl 4-(2-methylpropyl)benzoate Openeye Name: [(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl ester IUPAC Name: [(3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [(3aS,3bS,5aR,9aR,9bS,11aS)-7-keto-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl ester Formula: C31H45NO3 MolecularWeight: 479.6939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)OCC2CCC3C2(CCC4C3CCC5C4(CCC(=O)N5C)C)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)OCC2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CCC(=O)N5C)C)C

InChI

InChI=1S/C31H45NO3/c1-20(2)18-21-6-8-22(9-7-21)29(34)35-19-23-10-12-25-24-11-13-27-31(4,17-15-28(33)32(27)5)26(24)14-16-30(23,25)3/h6-9,20,23-27H,10-19H2,1-5H3/t23?,24-,25-,26-,27+,30+,31+/m0/s1