3-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoic acid

Systemtic Name: 3-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoic acid Openeye Name: 3-[3-[4-(2-pyridyl)piperazin-1-yl]propoxy]benzoic acid CAS Name: 3-[3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]benzoic acid IUPAC Name: 3-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoic acid Traditional Name: 3-[3-[4-(2-pyridyl)piperazino]propoxy]benzoic acid Formula: C19H23N3O3 MolecularWeight: 341.40422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=CC(=C2)C(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=CC(=C2)C(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C19H23N3O3/c23-19(24)16-5-3-6-17(15-16)25-14-4-9-21-10-12-22(13-11-21)18-7-1-2-8-20-18/h1-3,5-8,15H,4,9-14H2,(H,23,24)