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

Systemtic Name: 4-[[3-cyano-2-[4-(2-ethoxyphenyl)-3-methyl-phenyl]-6-fluoranyl-quinolin-4-yl]amino]butanoic acid Openeye Name: 4-[[3-cyano-2-[4-(2-ethoxyphenyl)-3-methyl-phenyl]-6-fluoro-4-quinolyl]amino]butanoic acid CAS Name: 4-[[3-cyano-2-[4-(2-ethoxyphenyl)-3-methylphenyl]-6-fluoro-4-quinolinyl]amino]butanoic acid IUPAC Name: 4-[[3-cyano-2-[4-(2-ethoxyphenyl)-3-methylphenyl]-6-fluoroquinolin-4-yl]amino]butanoic acid Traditional Name: 4-[[3-cyano-6-fluoro-2-(3-methyl-4-o-phenetyl-phenyl)-4-quinolyl]amino]butyric acid Formula: C29H26FN3O3 MolecularWeight: 483.533443

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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)NCCCC(=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)NCCCC(=O)O)C

InChI

InChI=1S/C29H26FN3O3/c1-3-36-26-8-5-4-7-22(26)21-12-10-19(15-18(21)2)28-24(17-31)29(32-14-6-9-27(34)35)23-16-20(30)11-13-25(23)33-28/h4-5,7-8,10-13,15-16H,3,6,9,14H2,1-2H3,(H,32,33)(H,34,35)