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

Systemtic Name: methyl (2R,3S)-2-methyl-3-[(1S)-2-oxidanylidenecyclohexyl]-3-phenyl-propanoate Openeye Name: methyl (2R,3S)-2-methyl-3-[(1S)-2-oxocyclohexyl]-3-phenyl-propanoate CAS Name: (2R,3S)-2-methyl-3-[(1S)-2-oxocyclohexyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R,3S)-2-methyl-3-[(1S)-2-oxocyclohexyl]-3-phenylpropanoate Traditional Name: (2R,3S)-3-[(1S)-2-ketocyclohexyl]-2-methyl-3-phenyl-propionic acid methyl ester Formula: C17H22O3 MolecularWeight: 274.35478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3/c1-12(17(19)20-2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)18/h3-5,8-9,12,14,16H,6-7,10-11H2,1-2H3/t12-,14-,16+/m1/s1