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

Systemtic Name: 3-[[4-(3-methylphenyl)piperazin-1-yl]methoxy]benzoic acid Openeye Name: 3-[[4-(m-tolyl)piperazin-1-yl]methoxy]benzoic acid CAS Name: 3-[[4-(3-methylphenyl)-1-piperazinyl]methoxy]benzoic acid IUPAC Name: 3-[[4-(3-methylphenyl)piperazin-1-yl]methoxy]benzoic acid Traditional Name: 3-[[4-(m-tolyl)piperazino]methoxy]benzoic acid Formula: C19H22N2O3 MolecularWeight: 326.38958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)COC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)COC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H22N2O3/c1-15-4-2-6-17(12-15)21-10-8-20(9-11-21)14-24-18-7-3-5-16(13-18)19(22)23/h2-7,12-13H,8-11,14H2,1H3,(H,22,23)