[(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 3,5-bis(trifluoromethyl)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 3,5-bis(trifluoromethyl)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 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)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 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic 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: C29H35F6NO3 MolecularWeight: 559.583519

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2COC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)CCC5C3(CCC(=O)N5C)C

Isomeric SMILES

C[C@]12CCC(=O)N([C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4COC(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)C)C

InChI

InChI=1S/C29H35F6NO3/c1-26-10-8-22-20(5-7-23-27(22,2)11-9-24(37)36(23)3)21(26)6-4-17(26)15-39-25(38)16-12-18(28(30,31)32)14-19(13-16)29(33,34)35/h12-14,17,20-23H,4-11,15H2,1-3H3/t17?,20-,21-,22-,23+,26+,27+/m0/s1