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

Systemtic Name: 3-[(3-chlorophenyl)carbonylamino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid Openeye Name: 3-[(3-chlorobenzoyl)amino]-4-[3-methyl-4-(m-tolyl)piperazin-1-yl]benzoic acid CAS Name: 3-[[(3-chlorophenyl)-oxomethyl]amino]-4-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-[(3-chlorobenzoyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-[(3-chlorobenzoyl)amino]-4-[3-methyl-4-(m-tolyl)piperazino]benzoic acid Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3O3/c1-17-5-3-8-22(13-17)30-12-11-29(16-18(30)2)24-10-9-20(26(32)33)15-23(24)28-25(31)19-6-4-7-21(27)14-19/h3-10,13-15,18H,11-12,16H2,1-2H3,(H,28,31)(H,32,33)