2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid

Systemtic Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Openeye Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid CAS Name: 2-[4-(2-cyanoethyl)-1-piperazinyl]-5-(1-oxopropylamino)benzoic acid IUPAC Name: 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-(propanoylamino)benzoic acid Traditional Name: 2-[4-(2-cyanoethyl)piperazino]-5-propionamido-benzoic acid Formula: C17H22N4O3 MolecularWeight: 330.38158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CCC#N)C(=O)O

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CCC#N)C(=O)O

InChI

InChI=1S/C17H22N4O3/c1-2-16(22)19-13-4-5-15(14(12-13)17(23)24)21-10-8-20(9-11-21)7-3-6-18/h4-5,12H,2-3,7-11H2,1H3,(H,19,22)(H,23,24)