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

Systemtic Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoranyl-quinolin-4-yl]amino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolinyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 2-[[3-cyano-6-fluoro-2-(4-o-phenetylphenyl)-4-quinolyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C33H25F2N3O3 MolecularWeight: 549.566706

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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=C(C=C5)F)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=C(C=C5)F)C(=O)O

InChI

InChI=1S/C33H25F2N3O3/c1-2-41-30-6-4-3-5-25(30)21-9-11-22(12-10-21)31-27(19-36)32(26-18-24(35)15-16-28(26)37-31)38-29(33(39)40)17-20-7-13-23(34)14-8-20/h3-16,18,29H,2,17H2,1H3,(H,37,38)(H,39,40)