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

Systemtic Name: 5-[(4-fluorophenyl)carbonylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid Openeye Name: 5-[(4-fluorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid CAS Name: 5-[[(4-fluorophenyl)-oxomethyl]amino]-2-[4-(2-methoxyphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-[(4-fluorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid Traditional Name: 5-[(4-fluorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazino]benzoic acid Formula: C25H24FN3O4 MolecularWeight: 449.474163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C25H24FN3O4/c1-33-23-5-3-2-4-22(23)29-14-12-28(13-15-29)21-11-10-19(16-20(21)25(31)32)27-24(30)17-6-8-18(26)9-7-17/h2-11,16H,12-15H2,1H3,(H,27,30)(H,31,32)