4-[[(2Z)-2-(5-fluoranyl-2-oxidanylidene-quinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]methylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 4-[[(2Z)-2-(5-fluoranyl-2-oxidanylidene-quinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]methylamino]-3-oxidanyl-butanoic acid Openeye Name: 4-[[(2Z)-2-(5-fluoro-2-oxo-3-quinolylidene)-1,3-dihydrobenzimidazol-5-yl]methylamino]-3-hydroxy-butanoic acid CAS Name: 4-[[(2Z)-2-(5-fluoro-2-oxo-3-quinolinylidene)-1,3-dihydrobenzimidazol-5-yl]methylamino]-3-hydroxybutanoic acid IUPAC Name: 4-[[(2Z)-2-(5-fluoro-2-oxoquinolin-3-ylidene)-1,3-dihydrobenzimidazol-5-yl]methylamino]-3-hydroxybutanoic acid Traditional Name: 4-[[(2Z)-2-(5-fluoro-2-keto-3-quinolylidene)-1,3-dihydrobenzimidazol-5-yl]methylamino]-3-hydroxy-butyric acid Formula: C21H19FN4O4 MolecularWeight: 410.398363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=O)C(=C3NC4=C(N3)C=C(C=C4)CNCC(CC(=O)O)O)C=C2C(=C1)F

Isomeric SMILES

C1=CC2=NC(=O)/C(=C\3/NC4=C(N3)C=C(C=C4)CNCC(CC(=O)O)O)/C=C2C(=C1)F

InChI

InChI=1S/C21H19FN4O4/c22-15-2-1-3-16-13(15)8-14(21(30)26-16)20-24-17-5-4-11(6-18(17)25-20)9-23-10-12(27)7-19(28)29/h1-6,8,12,23-25,27H,7,9-10H2,(H,28,29)/b20-14-