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

Systemtic Name: [(1R,2S,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-3-oxidanylidene-2,3-diphenyl-propanoate Openeye Name: [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] (2S)-3-oxo-2,3-diphenyl-propanoate CAS Name: (2S)-3-oxo-2,3-diphenylpropanoic acid [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-3-oxo-2,3-diphenylpropanoate Traditional Name: (2S)-3-keto-2,3-diphenyl-propionic acid [(1R,2S,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C25H30O3 MolecularWeight: 378.5039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30O3/c1-17(2)21-15-14-18(3)16-22(21)28-25(27)23(19-10-6-4-7-11-19)24(26)20-12-8-5-9-13-20/h4-13,17-18,21-23H,14-16H2,1-3H3/t18-,21-,22+,23-/m0/s1