1-[[3-cyano-2-[4-(2-ethoxyphenyl)-3-methyl-phenyl]-6-fluoranyl-quinolin-4-yl]amino]cyclopropane-1-carboxylic acid

Systemtic Name: 1-[[3-cyano-2-[4-(2-ethoxyphenyl)-3-methyl-phenyl]-6-fluoranyl-quinolin-4-yl]amino]cyclopropane-1-carboxylic acid Openeye Name: 1-[[3-cyano-2-[4-(2-ethoxyphenyl)-3-methyl-phenyl]-6-fluoro-4-quinolyl]amino]cyclopropanecarboxylic acid CAS Name: 1-[[3-cyano-2-[4-(2-ethoxyphenyl)-3-methylphenyl]-6-fluoro-4-quinolinyl]amino]-1-cyclopropanecarboxylic acid IUPAC Name: 1-[[3-cyano-2-[4-(2-ethoxyphenyl)-3-methylphenyl]-6-fluoroquinolin-4-yl]amino]cyclopropane-1-carboxylic acid Traditional Name: 1-[[3-cyano-6-fluoro-2-(3-methyl-4-o-phenetyl-phenyl)-4-quinolyl]amino]cyclopropanecarboxylic acid Formula: C29H24FN3O3 MolecularWeight: 481.517563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=C(C=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3C#N)NC5(CC5)C(=O)O)C

Isomeric SMILES

CCOC1=CC=CC=C1C2=C(C=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3C#N)NC5(CC5)C(=O)O)C

InChI

InChI=1S/C29H24FN3O3/c1-3-36-25-7-5-4-6-21(25)20-10-8-18(14-17(20)2)26-23(16-31)27(33-29(12-13-29)28(34)35)22-15-19(30)9-11-24(22)32-26/h4-11,14-15H,3,12-13H2,1-2H3,(H,32,33)(H,34,35)