2-methylpropyl 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: 2-methylpropyl 4-(2-cyanoethanoylamino)benzoate Openeye Name: isobutyl 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid isobutyl ester Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3/c1-10(2)9-19-14(18)11-3-5-12(6-4-11)16-13(17)7-8-15/h3-6,10H,7,9H2,1-2H3,(H,16,17)