[(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-cyanobenzoate

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-cyanobenzoate 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-cyanobenzoate CAS Name: 3-cyanobenzoic 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-cyanobenzoate Traditional Name: 3-cyanobenzoic 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: C28H36N2O3 MolecularWeight: 448.59704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2COC(=O)C4=CC=CC(=C4)C#N)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#N)C)C

InChI

InChI=1S/C28H36N2O3/c1-27-13-11-23-21(8-10-24-28(23,2)14-12-25(31)30(24)3)22(27)9-7-20(27)17-33-26(32)19-6-4-5-18(15-19)16-29/h4-6,15,20-24H,7-14,17H2,1-3H3/t20?,21-,22-,23-,24+,27+,28+/m0/s1