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

Systemtic Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoranyl-quinolin-4-yl]-ethyl-amino]ethanoic acid Openeye Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolyl]-ethyl-amino]acetic acid CAS Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolinyl]-ethylamino]acetic acid IUPAC Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]-ethylamino]acetic acid Traditional Name: 2-[[3-cyano-6-fluoro-2-(4-o-phenetylphenyl)-4-quinolyl]-ethyl-amino]acetic acid Formula: C28H24FN3O3 MolecularWeight: 469.506863

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)C1=C(C(=NC2=C1C=C(C=C2)F)C3=CC=C(C=C3)C4=CC=CC=C4OCC)C#N

Isomeric SMILES

CCN(CC(=O)O)C1=C(C(=NC2=C1C=C(C=C2)F)C3=CC=C(C=C3)C4=CC=CC=C4OCC)C#N

InChI

InChI=1S/C28H24FN3O3/c1-3-32(17-26(33)34)28-22-15-20(29)13-14-24(22)31-27(23(28)16-30)19-11-9-18(10-12-19)21-7-5-6-8-25(21)35-4-2/h5-15H,3-4,17H2,1-2H3,(H,33,34)