2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonylbenzoic acid Openeye Name: 2-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzoic acid CAS Name: 2-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]benzoic acid IUPAC Name: 2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzoic acid Traditional Name: 2-[4-(4-pyridylmethyl)piperazine-1-carbonyl]benzoic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=NC=C2)C(=O)C3=CC=CC=C3C(=O)O

InChI

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