4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid Openeye Name: 4-[4-(m-tolyl)piperazin-1-yl]benzoic acid CAS Name: 4-[4-(3-methylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-(3-methylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 4-[4-(m-tolyl)piperazino]benzoic acid Formula: C18H20N2O2 MolecularWeight: 296.3636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H20N2O2/c1-14-3-2-4-17(13-14)20-11-9-19(10-12-20)16-7-5-15(6-8-16)18(21)22/h2-8,13H,9-12H2,1H3,(H,21,22)