[2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-(cyclopentylamino)-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(cyclopentylamino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(cyclopentylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(cyclopentylamino)-2-keto-ethyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C1CCC(C1)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C17H19N3O4/c18-10-9-15(21)19-14-7-5-12(6-8-14)17(23)24-11-16(22)20-13-3-1-2-4-13/h5-8,13H,1-4,9,11H2,(H,19,21)(H,20,22)