[(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(diphenylmethyl)-3-oxidanylidene-butanoate

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(diphenylmethyl)-3-oxidanylidene-butanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-benzhydryl-3-oxo-butanoate CAS Name: (2S)-2-(diphenylmethyl)-3-oxobutanoic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-benzhydryl-3-oxobutanoate Traditional Name: (2S)-2-benzhydryl-3-keto-butyric acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C27H34O3 MolecularWeight: 406.55706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C)C(C)C

InChI

InChI=1S/C27H34O3/c1-18(2)23-16-15-19(3)17-24(23)30-27(29)25(20(4)28)26(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,18-19,23-26H,15-17H2,1-4H3/t19-,23-,24+,25+/m0/s1