methyl (3S)-2,2-dimethyl-3-[(1R)-2-oxidanylidenecyclohexyl]-3-phenyl-propanoate

Systemtic Name: methyl (3S)-2,2-dimethyl-3-[(1R)-2-oxidanylidenecyclohexyl]-3-phenyl-propanoate Openeye Name: methyl (3S)-2,2-dimethyl-3-[(1R)-2-oxocyclohexyl]-3-phenyl-propanoate CAS Name: (3S)-2,2-dimethyl-3-[(1R)-2-oxocyclohexyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (3S)-2,2-dimethyl-3-[(1R)-2-oxocyclohexyl]-3-phenylpropanoate Traditional Name: (3S)-3-[(1R)-2-ketocyclohexyl]-2,2-dimethyl-3-phenyl-propionic acid methyl ester Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1CCCCC1=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)([C@@H]([C@H]1CCCCC1=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H24O3/c1-18(2,17(20)21-3)16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)19/h4-6,9-10,14,16H,7-8,11-12H2,1-3H3/t14-,16+/m0/s1