2-[[1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-methyl-pyrazol-4-yl]carbonyl-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]amino]ethanoic acid

Systemtic Name: 2-[[1-[2-chloranyl-5-(trifluoromethyl)phenyl]-3-methyl-pyrazol-4-yl]carbonyl-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]amino]ethanoic acid Openeye Name: 2-[N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-pyrazole-4-carbonyl]-3-cyano-4-(2,2-dimethylpropoxy)anilino]acetic acid CAS Name: 2-[N-[[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-4-pyrazolyl]-oxomethyl]-3-cyano-4-(2,2-dimethylpropoxy)anilino]acetic acid IUPAC Name: 2-[N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylpyrazole-4-carbonyl]-3-cyano-4-(2,2-dimethylpropoxy)anilino]acetic acid Traditional Name: 2-(N-[1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-pyrazole-4-carbonyl]-3-cyano-4-neopentyloxy-anilino)acetic acid Formula: C26H24ClF3N4O4 MolecularWeight: 548.94137

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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=CC(=C3)C(F)(F)F)Cl

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=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C26H24ClF3N4O4/c1-15-19(12-34(32-15)21-10-17(26(28,29)30)5-7-20(21)27)24(37)33(13-23(35)36)18-6-8-22(16(9-18)11-31)38-14-25(2,3)4/h5-10,12H,13-14H2,1-4H3,(H,35,36)