methyl 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)-4-methyl-benzoate

Systemtic Name: methyl 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)-4-methyl-benzoate Openeye Name: methyl 3-(1-cyano-2-oxo-3-phenyl-propyl)-4-methyl-benzoate CAS Name: 3-(1-cyano-2-oxo-3-phenylpropyl)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(1-cyano-2-oxo-3-phenylpropyl)-4-methylbenzoate Traditional Name: 3-(1-cyano-2-keto-3-phenyl-propyl)-4-methyl-benzoic acid methyl ester Formula: C19H17NO3 MolecularWeight: 307.34318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)C(C#N)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)C(C#N)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H17NO3/c1-13-8-9-15(19(22)23-2)11-16(13)17(12-20)18(21)10-14-6-4-3-5-7-14/h3-9,11,17H,10H2,1-2H3