4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]benzoic acid

Systemtic Name: 4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]benzoic acid Openeye Name: 4-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]benzoic acid CAS Name: 4-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]benzoic acid Traditional Name: 4-[2-[4-(4-pyridyl)piperazino]acetyl]benzoic acid Formula: C18H19N3O3 MolecularWeight: 325.36176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C2=CC=C(C=C2)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)C2=CC=C(C=C2)C(=O)O)C3=CC=NC=C3

InChI

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