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

Systemtic Name: 3-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoranyl-quinolin-4-yl]amino]propanoic acid Openeye Name: 3-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolyl]amino]propanoic acid CAS Name: 3-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolinyl]amino]propanoic acid IUPAC Name: 3-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]amino]propanoic acid Traditional Name: 3-[[3-cyano-6-fluoro-2-(4-o-phenetylphenyl)-4-quinolyl]amino]propionic acid Formula: C27H22FN3O3 MolecularWeight: 455.480283

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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)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H22FN3O3/c1-2-34-24-6-4-3-5-20(24)17-7-9-18(10-8-17)26-22(16-29)27(30-14-13-25(32)33)21-15-19(28)11-12-23(21)31-26/h3-12,15H,2,13-14H2,1H3,(H,30,31)(H,32,33)