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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(4-methylphenyl)carbonylamino]benzoic acid Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(4-methylbenzoyl)amino]benzoic acid CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-3-[[(4-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(4-methylbenzoyl)amino]benzoic acid Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-3-(p-toluoylamino)benzoic acid Formula: C25H24FN3O3 MolecularWeight: 433.474763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24FN3O3/c1-17-2-4-18(5-3-17)24(30)27-22-16-19(25(31)32)6-11-23(22)29-14-12-28(13-15-29)21-9-7-20(26)8-10-21/h2-11,16H,12-15H2,1H3,(H,27,30)(H,31,32)