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

Systemtic Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoranyl-quinolin-4-yl]amino]-3-pyridin-2-yl-propanoic acid Openeye Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolyl]amino]-3-(2-pyridyl)propanoic acid CAS Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolinyl]amino]-3-(2-pyridinyl)propanoic acid IUPAC Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]amino]-3-pyridin-2-ylpropanoic acid Traditional Name: 2-[[3-cyano-6-fluoro-2-(4-o-phenetylphenyl)-4-quinolyl]amino]-3-(2-pyridyl)propionic acid Formula: C32H25FN4O3 MolecularWeight: 532.564303

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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)NC(CC5=CC=CC=N5)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3C#N)NC(CC5=CC=CC=N5)C(=O)O

InChI

InChI=1S/C32H25FN4O3/c1-2-40-29-9-4-3-8-24(29)20-10-12-21(13-11-20)30-26(19-34)31(25-17-22(33)14-15-27(25)36-30)37-28(32(38)39)18-23-7-5-6-16-35-23/h3-17,28H,2,18H2,1H3,(H,36,37)(H,38,39)