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

Systemtic Name: 3-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoranyl-quinolin-4-yl]amino]-4-methyl-pentanoic acid Openeye Name: 3-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolyl]amino]-4-methyl-pentanoic acid CAS Name: 3-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoro-4-quinolinyl]amino]-4-methylpentanoic acid IUPAC Name: 3-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-6-fluoroquinolin-4-yl]amino]-4-methylpentanoic acid Traditional Name: 3-[[3-cyano-6-fluoro-2-(4-o-phenetylphenyl)-4-quinolyl]amino]-4-methyl-valeric acid Formula: C30H28FN3O3 MolecularWeight: 497.560023

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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)NC(CC(=O)O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H28FN3O3/c1-4-37-27-8-6-5-7-22(27)19-9-11-20(12-10-19)29-24(17-32)30(34-26(18(2)3)16-28(35)36)23-15-21(31)13-14-25(23)33-29/h5-15,18,26H,4,16H2,1-3H3,(H,33,34)(H,35,36)