2-[[3-cyano-6-fluoranyl-2-(4-naphthalen-1-ylphenyl)quinolin-4-yl]amino]propanoic acid

Systemtic Name: 2-[[3-cyano-6-fluoranyl-2-(4-naphthalen-1-ylphenyl)quinolin-4-yl]amino]propanoic acid Openeye Name: 2-[[3-cyano-6-fluoro-2-[4-(1-naphthyl)phenyl]-4-quinolyl]amino]propanoic acid CAS Name: 2-[[3-cyano-6-fluoro-2-[4-(1-naphthalenyl)phenyl]-4-quinolinyl]amino]propanoic acid IUPAC Name: 2-[[3-cyano-6-fluoro-2-(4-naphthalen-1-ylphenyl)quinolin-4-yl]amino]propanoic acid Traditional Name: 2-[[3-cyano-6-fluoro-2-[4-(1-naphthyl)phenyl]-4-quinolyl]amino]propionic acid Formula: C29H20FN3O2 MolecularWeight: 461.486403

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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=CC5=CC=CC=C54)C#N

Isomeric SMILES

CC(C(=O)O)NC1=C(C(=NC2=C1C=C(C=C2)F)C3=CC=C(C=C3)C4=CC=CC5=CC=CC=C54)C#N

InChI

InChI=1S/C29H20FN3O2/c1-17(29(34)35)32-28-24-15-21(30)13-14-26(24)33-27(25(28)16-31)20-11-9-19(10-12-20)23-8-4-6-18-5-2-3-7-22(18)23/h2-15,17H,1H3,(H,32,33)(H,34,35)