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

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

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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)NCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C28H24FN3O3/c1-2-35-25-7-4-3-6-21(25)18-9-11-19(12-10-18)27-23(17-30)28(31-15-5-8-26(33)34)22-16-20(29)13-14-24(22)32-27/h3-4,6-7,9-14,16H,2,5,8,15H2,1H3,(H,31,32)(H,33,34)