3-[4-(phenylmethyl)piperazin-1-yl]carbonylpyridine-2-carboxylic acid

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]carbonylpyridine-2-carboxylic acid Openeye Name: 3-(4-benzylpiperazine-1-carbonyl)pyridine-2-carboxylic acid CAS Name: 3-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-pyridinecarboxylic acid IUPAC Name: 3-(4-benzylpiperazine-1-carbonyl)pyridine-2-carboxylic acid Traditional Name: 3-(4-benzylpiperazine-1-carbonyl)picolinic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)C(=O)O

InChI

InChI=1S/C18H19N3O3/c22-17(15-7-4-8-19-16(15)18(23)24)21-11-9-20(10-12-21)13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,23,24)