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

Systemtic Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2/c15-6-1-7-16-8-10-17(11-9-16)13-4-2-12(3-5-13)14(18)19/h2-5H,1,7-11H2,(H,18,19)