[4-(cyanomethyl)phenyl] 3,5-dimethylbenzoate

Systemtic Name: [4-(cyanomethyl)phenyl] 3,5-dimethylbenzoate Openeye Name: [4-(cyanomethyl)phenyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [4-(cyanomethyl)phenyl] ester IUPAC Name: [4-(cyanomethyl)phenyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [4-(cyanomethyl)phenyl] ester Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO2/c1-12-9-13(2)11-15(10-12)17(19)20-16-5-3-14(4-6-16)7-8-18/h3-6,9-11H,7H2,1-2H3