[(S)-[(1R,2R,5R)-5-methyl-2-oxidanyl-cyclohexyl]-phenyl-methyl] benzoate

Systemtic Name: [(S)-[(1R,2R,5R)-5-methyl-2-oxidanyl-cyclohexyl]-phenyl-methyl] benzoate Openeye Name: [(S)-[(1R,2R,5R)-2-hydroxy-5-methyl-cyclohexyl]-phenyl-methyl] benzoate CAS Name: benzoic acid [(S)-[(1R,2R,5R)-2-hydroxy-5-methylcyclohexyl]-phenylmethyl] ester IUPAC Name: [(S)-[(1R,2R,5R)-2-hydroxy-5-methylcyclohexyl]-phenylmethyl] benzoate Traditional Name: benzoic acid [(S)-[(1R,2R,5R)-2-hydroxy-5-methyl-cyclohexyl]-phenyl-methyl] ester Formula: C21H24O3 MolecularWeight: 324.41346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O3/c1-15-12-13-19(22)18(14-15)20(16-8-4-2-5-9-16)24-21(23)17-10-6-3-7-11-17/h2-11,15,18-20,22H,12-14H2,1H3/t15-,18-,19-,20-/m1/s1