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

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methylphenyl)carbonylamino]benzoic acid Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methylbenzoyl)amino]benzoic acid CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-3-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(3-methylbenzoyl)amino]benzoic acid Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-3-(m-toluoylamino)benzoic acid Formula: C25H24FN3O3 MolecularWeight: 433.474763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

InChI

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