(phenylmethyl) 4-(2,4-dimethylphenyl)-2-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-(2,4-dimethylphenyl)-2-oxidanylidene-butanoate Openeye Name: benzyl 4-(2,4-dimethylphenyl)-2-oxo-butanoate CAS Name: 4-(2,4-dimethylphenyl)-2-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2,4-dimethylphenyl)-2-oxobutanoate Traditional Name: 4-(2,4-dimethylphenyl)-2-keto-butyric acid benzyl ester Formula: C19H20O3 MolecularWeight: 296.3603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCC(=O)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCC(=O)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C19H20O3/c1-14-8-9-17(15(2)12-14)10-11-18(20)19(21)22-13-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3