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

Systemtic Name: 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(4-pyridylmethyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(pyridin-4-ylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(4-pyridylmethyl)piperazino]benzoic acid Formula: C17H19N3O2 MolecularWeight: 297.35166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2/c21-17(22)15-1-3-16(4-2-15)20-11-9-19(10-12-20)13-14-5-7-18-8-6-14/h1-8H,9-13H2,(H,21,22)