(phenylmethyl) 3-(2,5-dimethylphenyl)-2-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-(2,5-dimethylphenyl)-2-oxidanylidene-propanoate Openeye Name: benzyl 3-(2,5-dimethylphenyl)-2-oxo-propanoate CAS Name: 3-(2,5-dimethylphenyl)-2-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2,5-dimethylphenyl)-2-oxopropanoate Traditional Name: 3-(2,5-dimethylphenyl)-2-keto-propionic acid benzyl ester Formula: C18H18O3 MolecularWeight: 282.33372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O3/c1-13-8-9-14(2)16(10-13)11-17(19)18(20)21-12-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3