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

Systemtic Name: 5-benzamido-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-benzamido-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 5-benzamido-2-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-benzamido-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-benzamido-2-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N4O3/c22-9-4-10-24-11-13-25(14-12-24)19-8-7-17(15-18(19)21(27)28)23-20(26)16-5-2-1-3-6-16/h1-3,5-8,15H,4,10-14H2,(H,23,26)(H,27,28)