[(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-ethoxybenzoate

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-ethoxybenzoate 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-ethoxybenzoate CAS Name: 4-ethoxybenzoic 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-ethoxybenzoate Traditional Name: 4-ethoxybenzoic 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: C29H41NO4 MolecularWeight: 467.64014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OCC2CCC3C2(CCC4C3CCC5C4(CCC(=O)N5C)C)C

Isomeric SMILES

CCOC1=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/C29H41NO4/c1-5-33-21-9-6-19(7-10-21)27(32)34-18-20-8-12-23-22-11-13-25-29(3,17-15-26(31)30(25)4)24(22)14-16-28(20,23)2/h6-7,9-10,20,22-25H,5,8,11-18H2,1-4H3/t20?,22-,23-,24-,25+,28+,29+/m0/s1