[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-chloranyl-3-methyl-3-oxidanyl-butanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-chloranyl-3-methyl-3-oxidanyl-butanoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (2S)-2-chloro-3-hydroxy-3-methyl-butanoate CAS Name: (2S)-2-chloro-3-hydroxy-3-methylbutanoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-chloro-3-hydroxy-3-methylbutanoate Traditional Name: (2S)-2-chloro-3-hydroxy-3-methyl-butyric acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C21H31ClO3 MolecularWeight: 366.92204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClO3/c1-14-11-12-16(20(2,3)15-9-7-6-8-10-15)17(13-14)25-19(23)18(22)21(4,5)24/h6-10,14,16-18,24H,11-13H2,1-5H3/t14-,16-,17-,18-/m1/s1