[4-(cyanomethyl)phenyl] 3-methylbenzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 3-methylbenzoate Openeye Name: [4-(cyanomethyl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-(cyanomethyl)phenyl] ester Formula: C16H13NO2 MolecularWeight: 251.27992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C16H13NO2/c1-12-3-2-4-14(11-12)16(18)19-15-7-5-13(6-8-15)9-10-17/h2-8,11H,9H2,1H3