1-[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoranyl-quinolin-4-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoranyl-quinolin-4-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolyl]piperidine-4-carboxylic acid CAS Name: 1-[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-cyano-6-fluoro-2-(4-o-phenetylphenyl)-4-quinolyl]isonipecotic acid Formula: C30H26FN3O3 MolecularWeight: 495.544143

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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)N5CCC(CC5)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3C#N)N5CCC(CC5)C(=O)O

InChI

InChI=1S/C30H26FN3O3/c1-2-37-27-6-4-3-5-23(27)19-7-9-20(10-8-19)28-25(18-32)29(24-17-22(31)11-12-26(24)33-28)34-15-13-21(14-16-34)30(35)36/h3-12,17,21H,2,13-16H2,1H3,(H,35,36)