2-(4-fluorophenyl)-4-[[4-(1-methylimidazol-2-yl)carbonylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(4-fluorophenyl)-4-[[4-(1-methylimidazol-2-yl)carbonylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 2-(4-fluorophenyl)-4-[4-(1-methylimidazole-2-carbonyl)anilino]-4-oxo-butanoic acid CAS Name: 2-(4-fluorophenyl)-4-[4-[(1-methyl-2-imidazolyl)-oxomethyl]anilino]-4-oxobutanoic acid IUPAC Name: 2-(4-fluorophenyl)-4-[4-(1-methylimidazole-2-carbonyl)anilino]-4-oxobutanoic acid Traditional Name: 2-(4-fluorophenyl)-4-keto-4-[4-(1-methylimidazole-2-carbonyl)anilino]butyric acid Formula: C21H18FN3O4 MolecularWeight: 395.383723

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)CC(C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)NC(=O)CC(C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C21H18FN3O4/c1-25-11-10-23-20(25)19(27)14-4-8-16(9-5-14)24-18(26)12-17(21(28)29)13-2-6-15(22)7-3-13/h2-11,17H,12H2,1H3,(H,24,26)(H,28,29)