methyl (3S,4R)-3,4-dimethyl-5-oxidanylidene-5-phenyl-pentanoate

Systemtic Name: methyl (3S,4R)-3,4-dimethyl-5-oxidanylidene-5-phenyl-pentanoate Openeye Name: methyl (3S,4R)-3,4-dimethyl-5-oxo-5-phenyl-pentanoate CAS Name: (3S,4R)-3,4-dimethyl-5-oxo-5-phenylpentanoic acid methyl ester IUPAC Name: methyl (3S,4R)-3,4-dimethyl-5-oxo-5-phenylpentanoate Traditional Name: (3S,4R)-5-keto-3,4-dimethyl-5-phenyl-valeric acid methyl ester Formula: C14H18O3 MolecularWeight: 234.29092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18O3/c1-10(9-13(15)17-3)11(2)14(16)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3/t10-,11+/m0/s1