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

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(4-methoxyphenyl)carbonylamino]benzoic acid Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-3-[[(4-methoxyphenyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(4-methoxybenzoyl)amino]benzoic acid Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-3-(p-anisoylamino)benzoic acid Formula: C25H24FN3O4 MolecularWeight: 449.474163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4F

InChI

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