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

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

Click to see the large picture

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=C4F

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=C3)C(=O)O)NC(=O)C4=CC=CC=C4F

InChI

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