2-[4-(2-chlorophenyl)piperazin-1-yl]-5-[(2-methylphenyl)carbonylamino]benzoic acid

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-[(2-methylphenyl)carbonylamino]benzoic acid Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]benzoic acid CAS Name: 2-[4-(2-chlorophenyl)-1-piperazinyl]-5-[[(2-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]benzoic acid Traditional Name: 2-[4-(2-chlorophenyl)piperazino]-5-(o-toluoylamino)benzoic acid Formula: C25H24ClN3O3 MolecularWeight: 449.92936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4Cl)C(=O)O

InChI

InChI=1S/C25H24ClN3O3/c1-17-6-2-3-7-19(17)24(30)27-18-10-11-22(20(16-18)25(31)32)28-12-14-29(15-13-28)23-9-5-4-8-21(23)26/h2-11,16H,12-15H2,1H3,(H,27,30)(H,31,32)