[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4/c1-11(2)12(3)19-16(22)10-24-17(23)13-4-6-14(7-5-13)20-15(21)8-9-18/h4-7,11-12H,8,10H2,1-3H3,(H,19,22)(H,20,21)