2-[[3-cyano-6-fluoranyl-2-[4-(2-methoxy-5-methyl-phenyl)phenyl]quinolin-4-yl]amino]propanoic acid

Systemtic Name: 2-[[3-cyano-6-fluoranyl-2-[4-(2-methoxy-5-methyl-phenyl)phenyl]quinolin-4-yl]amino]propanoic acid Openeye Name: 2-[[3-cyano-6-fluoro-2-[4-(2-methoxy-5-methyl-phenyl)phenyl]-4-quinolyl]amino]propanoic acid CAS Name: 2-[[3-cyano-6-fluoro-2-[4-(2-methoxy-5-methylphenyl)phenyl]-4-quinolinyl]amino]propanoic acid IUPAC Name: 2-[[3-cyano-6-fluoro-2-[4-(2-methoxy-5-methylphenyl)phenyl]quinolin-4-yl]amino]propanoic acid Traditional Name: 2-[[3-cyano-6-fluoro-2-[4-(2-methoxy-5-methyl-phenyl)phenyl]-4-quinolyl]amino]propionic acid Formula: C27H22FN3O3 MolecularWeight: 455.480283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3C#N)NC(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3C#N)NC(C)C(=O)O

InChI

InChI=1S/C27H22FN3O3/c1-15-4-11-24(34-3)20(12-15)17-5-7-18(8-6-17)25-22(14-29)26(30-16(2)27(32)33)21-13-19(28)9-10-23(21)31-25/h4-13,16H,1-3H3,(H,30,31)(H,32,33)