2-[(1R,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]propyl 2,2-dimethylpropanoate

Systemtic Name: 2-[(1R,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]propyl 2,2-dimethylpropanoate Openeye Name: 2-[(1R,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]propyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[(1R,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]propyl ester IUPAC Name: 2-[(1R,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]propyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[(1R,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]propyl ester Formula: C27H45NO3 MolecularWeight: 431.6511

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C(C)(C)C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C

Isomeric SMILES

CC(COC(=O)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)N4C)C)C

InChI

InChI=1S/C27H45NO3/c1-17(16-31-24(30)25(2,3)4)19-9-10-20-18-8-11-22-27(6,15-13-23(29)28(22)7)21(18)12-14-26(19,20)5/h17-22H,8-16H2,1-7H3/t17?,18-,19+,20-,21-,22+,26+,27+/m0/s1