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

Systemtic Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-[(2-methylphenyl)carbonylamino]benzoic acid Openeye Name: 5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(m-tolyl)piperazin-1-yl]benzoic acid CAS Name: 2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5-[[(2-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 5-[(2-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[3-methyl-4-(m-tolyl)piperazino]-5-(o-toluoylamino)benzoic acid Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4C)C(=O)O

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4C)C(=O)O

InChI

InChI=1S/C27H29N3O3/c1-18-7-6-9-22(15-18)30-14-13-29(17-20(30)3)25-12-11-21(16-24(25)27(32)33)28-26(31)23-10-5-4-8-19(23)2/h4-12,15-16,20H,13-14,17H2,1-3H3,(H,28,31)(H,32,33)