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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(2-methylphenyl)carbonylamino]benzoic acid Openeye Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]benzoic acid CAS Name: 2-[4-(4-fluorophenyl)-1-piperazinyl]-5-[[(2-methylphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]benzoic acid Traditional Name: 2-[4-(4-fluorophenyl)piperazino]-5-(o-toluoylamino)benzoic acid Formula: C25H24FN3O3 MolecularWeight: 433.474763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)F)C(=O)O

InChI

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