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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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