(phenylmethyl) 2-[1-(2,4-dimethylphenyl)ethyl]-3-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 2-[1-(2,4-dimethylphenyl)ethyl]-3-oxidanylidene-butanoate Openeye Name: benzyl 2-acetyl-3-(2,4-dimethylphenyl)butanoate CAS Name: 2-acetyl-3-(2,4-dimethylphenyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetyl-3-(2,4-dimethylphenyl)butanoate Traditional Name: 2-acetyl-3-(2,4-dimethylphenyl)butyric acid benzyl ester Formula: C21H24O3 MolecularWeight: 324.41346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O3/c1-14-10-11-19(15(2)12-14)16(3)20(17(4)22)21(23)24-13-18-8-6-5-7-9-18/h5-12,16,20H,13H2,1-4H3