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

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbonylamino]benzoic acid Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-5-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazino]-5-(m-toluoylamino)benzoic acid Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)C)C(=O)O

InChI

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