2-[3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]ethanoic acid

Systemtic Name: 2-[3-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]ethanoic acid Openeye Name: 2-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]acetic acid CAS Name: 2-[3-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]acetic acid IUPAC Name: 2-[3-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]acetic acid Traditional Name: 2-[3-(4-nicotinoylpiperazino)phenyl]acetic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)CC(=O)O)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)CC(=O)O)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H19N3O3/c22-17(23)12-14-3-1-5-16(11-14)20-7-9-21(10-8-20)18(24)15-4-2-6-19-13-15/h1-6,11,13H,7-10,12H2,(H,22,23)