3-[4-(2-cyanoethyl)piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-(2-cyanoethyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-(2-cyanoethyl)piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-(2-cyanoethyl)-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-(2-cyanoethyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-(2-cyanoethyl)piperazine-1-carbonyl]benzoic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3/c16-5-2-6-17-7-9-18(10-8-17)14(19)12-3-1-4-13(11-12)15(20)21/h1,3-4,11H,2,6-10H2,(H,20,21)