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

Systemtic Name: 2-[[2-[4-(3-aminophenyl)phenyl]-3-cyano-6-fluoranyl-quinolin-4-yl]amino]propanoic acid Openeye Name: 2-[[2-[4-(3-aminophenyl)phenyl]-3-cyano-6-fluoro-4-quinolyl]amino]propanoic acid CAS Name: 2-[[2-[4-(3-aminophenyl)phenyl]-3-cyano-6-fluoro-4-quinolinyl]amino]propanoic acid IUPAC Name: 2-[[2-[4-(3-aminophenyl)phenyl]-3-cyano-6-fluoroquinolin-4-yl]amino]propanoic acid Traditional Name: 2-[[2-[4-(3-aminophenyl)phenyl]-3-cyano-6-fluoro-4-quinolyl]amino]propionic acid Formula: C25H19FN4O2 MolecularWeight: 426.442363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=C(C(=NC2=C1C=C(C=C2)F)C3=CC=C(C=C3)C4=CC(=CC=C4)N)C#N

Isomeric SMILES

CC(C(=O)O)NC1=C(C(=NC2=C1C=C(C=C2)F)C3=CC=C(C=C3)C4=CC(=CC=C4)N)C#N

InChI

InChI=1S/C25H19FN4O2/c1-14(25(31)32)29-24-20-12-18(26)9-10-22(20)30-23(21(24)13-27)16-7-5-15(6-8-16)17-3-2-4-19(28)11-17/h2-12,14H,28H2,1H3,(H,29,30)(H,31,32)