2-[[3-cyano-2-[4-(2-ethoxyphenyl)-2-fluoranyl-phenyl]-6-fluoranyl-quinolin-4-yl]amino]ethanoic acid

Systemtic Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)-2-fluoranyl-phenyl]-6-fluoranyl-quinolin-4-yl]amino]ethanoic acid Openeye Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)-2-fluoro-phenyl]-6-fluoro-4-quinolyl]amino]acetic acid CAS Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)-2-fluorophenyl]-6-fluoro-4-quinolinyl]amino]acetic acid IUPAC Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)-2-fluorophenyl]-6-fluoroquinolin-4-yl]amino]acetic acid Traditional Name: 2-[[3-cyano-6-fluoro-2-(2-fluoro-4-o-phenetyl-phenyl)-4-quinolyl]amino]acetic acid Formula: C26H19F2N3O3 MolecularWeight: 459.444166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=CC(=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3C#N)NCC(=O)O)F

Isomeric SMILES

CCOC1=CC=CC=C1C2=CC(=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3C#N)NCC(=O)O)F

InChI

InChI=1S/C26H19F2N3O3/c1-2-34-23-6-4-3-5-17(23)15-7-9-18(21(28)11-15)26-20(13-29)25(30-14-24(32)33)19-12-16(27)8-10-22(19)31-26/h3-12H,2,14H2,1H3,(H,30,31)(H,32,33)