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

Systemtic Name: 5-acetamido-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-acetamido-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 5-acetamido-2-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-acetamido-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-acetamido-2-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C16H20N4O3 MolecularWeight: 316.355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O3/c1-12(21)18-13-3-4-15(14(11-13)16(22)23)20-9-7-19(8-10-20)6-2-5-17/h3-4,11H,2,6-10H2,1H3,(H,18,21)(H,22,23)