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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (3S)-3-oxidanyl-3-phenyl-propanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (3S)-3-hydroxy-3-phenyl-propanoate CAS Name: (3S)-3-hydroxy-3-phenylpropanoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (3S)-3-hydroxy-3-phenylpropanoate Traditional Name: (3S)-3-hydroxy-3-phenyl-propionic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H28O3 MolecularWeight: 304.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O3/c1-13(2)16-10-9-14(3)11-18(16)22-19(21)12-17(20)15-7-5-4-6-8-15/h4-8,13-14,16-18,20H,9-12H2,1-3H3/t14-,16+,17-,18-/m0/s1