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

Systemtic Name: 1-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoranyl-quinolin-4-yl]amino]cyclopentane-1-carboxylic acid Openeye Name: 1-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolyl]amino]cyclopentanecarboxylic acid CAS Name: 1-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolinyl]amino]-1-cyclopentanecarboxylic acid IUPAC Name: 1-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]amino]cyclopentane-1-carboxylic acid Traditional Name: 1-[[3-cyano-6-fluoro-2-(4-o-phenetylphenyl)-4-quinolyl]amino]cyclopentanecarboxylic 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)NC5(CCCC5)C(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)F)C(=C3C#N)NC5(CCCC5)C(=O)O

InChI

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