2-[[4-[(4-carboxyphenyl)carbonyl-methyl-amino]phenyl]carbonylamino]-5-[(E)-2-(2-fluorophenyl)ethenyl]benzoic acid

Systemtic Name: 2-[[4-[(4-carboxyphenyl)carbonyl-methyl-amino]phenyl]carbonylamino]-5-[(E)-2-(2-fluorophenyl)ethenyl]benzoic acid Openeye Name: 2-[[4-[(4-carboxybenzoyl)-methyl-amino]benzoyl]amino]-5-[(E)-2-(2-fluorophenyl)vinyl]benzoic acid CAS Name: 2-[[[4-[[(4-carboxyphenyl)-oxomethyl]-methylamino]phenyl]-oxomethyl]amino]-5-[(E)-2-(2-fluorophenyl)ethenyl]benzoic acid IUPAC Name: 2-[[4-[(4-carboxybenzoyl)-methylamino]benzoyl]amino]-5-[(E)-2-(2-fluorophenyl)ethenyl]benzoic acid Traditional Name: 2-[[4-[(4-carboxybenzoyl)-methyl-amino]benzoyl]amino]-5-[(E)-2-(2-fluorophenyl)vinyl]benzoic acid Formula: C31H23FN2O6 MolecularWeight: 538.522523

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)C=CC3=CC=CC=C3F)C(=O)O)C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)/C=C/C3=CC=CC=C3F)C(=O)O)C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C31H23FN2O6/c1-34(29(36)22-9-11-23(12-10-22)30(37)38)24-15-13-21(14-16-24)28(35)33-27-17-7-19(18-25(27)31(39)40)6-8-20-4-2-3-5-26(20)32/h2-18H,1H3,(H,33,35)(H,37,38)(H,39,40)/b8-6+