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

Systemtic Name: 5-azanyl-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-amino-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid CAS Name: 5-amino-2-[4-(2-cyanoethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-amino-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid Traditional Name: 5-amino-2-[4-(2-cyanoethyl)piperazino]benzoic acid Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2/c15-4-1-5-17-6-8-18(9-7-17)13-3-2-11(16)10-12(13)14(19)20/h2-3,10H,1,5-9,16H2,(H,19,20)