2-[[4-cyano-5-[3-[4-ethanoyl-3-oxidanyl-2-[3,3,3-tris(fluoranyl)propyl]phenoxy]propoxy]-2-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[4-cyano-5-[3-[4-ethanoyl-3-oxidanyl-2-[3,3,3-tris(fluoranyl)propyl]phenoxy]propoxy]-2-methyl-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[5-[3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]propoxy]-4-cyano-2-methyl-anilino]-2-oxo-acetic acid CAS Name: 2-[5-[3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]propoxy]-4-cyano-2-methylanilino]-2-oxoacetic acid IUPAC Name: 2-[5-[3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]propoxy]-4-cyano-2-methylanilino]-2-oxoacetic acid Traditional Name: 2-[5-[3-[4-acetyl-3-hydroxy-2-(3,3,3-trifluoropropyl)phenoxy]propoxy]-4-cyano-2-methyl-anilino]-2-keto-acetic acid Formula: C24H23F3N2O7 MolecularWeight: 508.44383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C#N)OCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC(F)(F)F)NC(=O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)C#N)OCCCOC2=C(C(=C(C=C2)C(=O)C)O)CCC(F)(F)F)NC(=O)C(=O)O

InChI

InChI=1S/C24H23F3N2O7/c1-13-10-15(12-28)20(11-18(13)29-22(32)23(33)34)36-9-3-8-35-19-5-4-16(14(2)30)21(31)17(19)6-7-24(25,26)27/h4-5,10-11,31H,3,6-9H2,1-2H3,(H,29,32)(H,33,34)