2-[4-(2-chlorophenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbonylamino]benzoic acid

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbonylamino]benzoic acid Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid CAS Name: 2-[4-(2-chlorophenyl)-1-piperazinyl]-5-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid Traditional Name: 2-[4-(2-chlorophenyl)piperazino]-5-(m-toluoylamino)benzoic acid Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4Cl)C(=O)O

InChI

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