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

Systemtic Name: 5-[(4-fluorophenyl)carbonylamino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(4-fluorobenzoyl)amino]-2-[3-methyl-4-(m-tolyl)piperazin-1-yl]benzoic acid CAS Name: 5-[[(4-fluorophenyl)-oxomethyl]amino]-2-[3-methyl-4-(3-methylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-fluorobenzoyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(4-fluorobenzoyl)amino]-2-[3-methyl-4-(m-tolyl)piperazino]benzoic acid Formula: C26H26FN3O3 MolecularWeight: 447.501343

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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)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O3/c1-17-4-3-5-22(14-17)30-13-12-29(16-18(30)2)24-11-10-21(15-23(24)26(32)33)28-25(31)19-6-8-20(27)9-7-19/h3-11,14-15,18H,12-13,16H2,1-2H3,(H,28,31)(H,32,33)