(3,5-dimethylphenyl)methyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: (3,5-dimethylphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid (3,5-dimethylbenzyl) ester Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C

InChI

InChI=1S/C19H18N2O3/c1-13-9-14(2)11-15(10-13)12-24-19(23)16-3-5-17(6-4-16)21-18(22)7-8-20/h3-6,9-11H,7,12H2,1-2H3,(H,21,22)