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

Systemtic Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoranyl-quinolin-4-yl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolyl]-methyl-amino]acetic acid CAS Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolinyl]-methylamino]acetic acid IUPAC Name: 2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]-methylamino]acetic acid Traditional Name: 2-[[3-cyano-6-fluoro-2-(4-o-phenetylphenyl)-4-quinolyl]-methyl-amino]acetic 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)N(C)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)26-22(15-29)27(31(2)16-25(32)33)21-14-19(28)12-13-23(21)30-26/h4-14H,3,16H2,1-2H3,(H,32,33)