1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]ethyl 2,2-dimethylpropanoate

Systemtic Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxidanylidene-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]ethyl 2,2-dimethylpropanoate Openeye Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]ethyl ester IUPAC Name: 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-7-keto-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl]ethyl ester Formula: C25H39NO3 MolecularWeight: 401.58206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCC3C2CCC4C3(C=CC(=O)N4)C)C)OC(=O)C(C)(C)C

Isomeric SMILES

CC([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4)C)C)OC(=O)C(C)(C)C

InChI

InChI=1S/C25H39NO3/c1-15(29-22(28)23(2,3)4)17-8-9-18-16-7-10-20-25(6,14-12-21(27)26-20)19(16)11-13-24(17,18)5/h12,14-20H,7-11,13H2,1-6H3,(H,26,27)/t15?,16-,17+,18-,19-,20+,24+,25+/m0/s1