[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(2-chlorophenyl)-2-oxidanyl-ethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(2-chlorophenyl)-2-oxidanyl-ethanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-(2-chlorophenyl)-2-hydroxy-acetate CAS Name: (2S)-2-(2-chlorophenyl)-2-hydroxyacetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(2-chlorophenyl)-2-hydroxyacetate Traditional Name: (2S)-2-(2-chlorophenyl)-2-hydroxy-acetic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C18H25ClO3 MolecularWeight: 324.8423

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(C2=CC=CC=C2Cl)O)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@H](C2=CC=CC=C2Cl)O)C(C)C

InChI

InChI=1S/C18H25ClO3/c1-11(2)13-9-8-12(3)10-16(13)22-18(21)17(20)14-6-4-5-7-15(14)19/h4-7,11-13,16-17,20H,8-10H2,1-3H3/t12-,13+,16-,17+/m1/s1