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

Systemtic Name: 2-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-[1-(4-fluorophenyl)-5-methyl-pyrazol-4-yl]carbonyl-amino]ethanoic acid Openeye Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)-N-[1-(4-fluorophenyl)-5-methyl-pyrazole-4-carbonyl]anilino]acetic acid CAS Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)-N-[[1-(4-fluorophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]anilino]acetic acid IUPAC Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)-N-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]anilino]acetic acid Traditional Name: 2-(3-cyano-N-[1-(4-fluorophenyl)-5-methyl-pyrazole-4-carbonyl]-4-neopentyloxy-anilino)acetic acid Formula: C25H25FN4O4 MolecularWeight: 464.488803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N(CC(=O)O)C3=CC(=C(C=C3)OCC(C)(C)C)C#N

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)N(CC(=O)O)C3=CC(=C(C=C3)OCC(C)(C)C)C#N

InChI

InChI=1S/C25H25FN4O4/c1-16-21(13-28-30(16)19-7-5-18(26)6-8-19)24(33)29(14-23(31)32)20-9-10-22(17(11-20)12-27)34-15-25(2,3)4/h5-11,13H,14-15H2,1-4H3,(H,31,32)