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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(3-methylphenyl)carbonylamino]benzoic acid Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-5-[[(3-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-5-(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=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

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

InChI

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