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

Systemtic Name: 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-[(4-methylphenyl)carbonylamino]benzoic acid Openeye Name: 5-[(4-methylbenzoyl)amino]-2-[3-methyl-4-(m-tolyl)piperazin-1-yl]benzoic acid CAS Name: 2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]-5-[[(4-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 5-[(4-methylbenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 2-[3-methyl-4-(m-tolyl)piperazino]-5-(p-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=C(C=C4)C)C(=O)O

Isomeric SMILES

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

InChI

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