2-[[1-[2,4-bis(fluoranyl)phenyl]-3-methyl-pyrazol-4-yl]carbonyl-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]amino]ethanoic acid

Systemtic Name: 2-[[1-[2,4-bis(fluoranyl)phenyl]-3-methyl-pyrazol-4-yl]carbonyl-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]amino]ethanoic acid Openeye Name: 2-[3-cyano-N-[1-(2,4-difluorophenyl)-3-methyl-pyrazole-4-carbonyl]-4-(2,2-dimethylpropoxy)anilino]acetic acid CAS Name: 2-[3-cyano-N-[[1-(2,4-difluorophenyl)-3-methyl-4-pyrazolyl]-oxomethyl]-4-(2,2-dimethylpropoxy)anilino]acetic acid IUPAC Name: 2-[3-cyano-N-[1-(2,4-difluorophenyl)-3-methylpyrazole-4-carbonyl]-4-(2,2-dimethylpropoxy)anilino]acetic acid Traditional Name: 2-(3-cyano-N-[1-(2,4-difluorophenyl)-3-methyl-pyrazole-4-carbonyl]-4-neopentyloxy-anilino)acetic acid Formula: C25H24F2N4O4 MolecularWeight: 482.479266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)N(CC(=O)O)C2=CC(=C(C=C2)OCC(C)(C)C)C#N)C3=C(C=C(C=C3)F)F

Isomeric SMILES

CC1=NN(C=C1C(=O)N(CC(=O)O)C2=CC(=C(C=C2)OCC(C)(C)C)C#N)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C25H24F2N4O4/c1-15-19(12-31(29-15)21-7-5-17(26)10-20(21)27)24(34)30(13-23(32)33)18-6-8-22(16(9-18)11-28)35-14-25(2,3)4/h5-10,12H,13-14H2,1-4H3,(H,32,33)