[(1R,3S)-2,2-dimethyl-6-methylidene-3-(1-oxidanyl-3-phenyl-propyl)cyclohexyl]methyl ethanoate

Systemtic Name: [(1R,3S)-2,2-dimethyl-6-methylidene-3-(1-oxidanyl-3-phenyl-propyl)cyclohexyl]methyl ethanoate Openeye Name: [(1R,3S)-3-(1-hydroxy-3-phenyl-propyl)-2,2-dimethyl-6-methylene-cyclohexyl]methyl acetate CAS Name: acetic acid [(1R,3S)-3-(1-hydroxy-3-phenylpropyl)-2,2-dimethyl-6-methylenecyclohexyl]methyl ester IUPAC Name: [(1R,3S)-3-(1-hydroxy-3-phenylpropyl)-2,2-dimethyl-6-methylidenecyclohexyl]methyl acetate Traditional Name: acetic acid [(1R,3S)-3-(1-hydroxy-3-phenyl-propyl)-2,2-dimethyl-6-methylene-cyclohexyl]methyl ester Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1C(=C)CCC(C1(C)C)C(CCC2=CC=CC=C2)O

Isomeric SMILES

CC(=O)OC[C@@H]1C(=C)CC[C@@H](C1(C)C)C(CCC2=CC=CC=C2)O

InChI

InChI=1S/C21H30O3/c1-15-10-12-18(21(3,4)19(15)14-24-16(2)22)20(23)13-11-17-8-6-5-7-9-17/h5-9,18-20,23H,1,10-14H2,2-4H3/t18-,19-,20?/m1/s1