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

Systemtic Name: 2-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-[1-(4-methoxyphenyl)-3-methyl-pyrazol-4-yl]carbonyl-amino]ethanoic acid Openeye Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)-N-[1-(4-methoxyphenyl)-3-methyl-pyrazole-4-carbonyl]anilino]acetic acid CAS Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)-N-[[1-(4-methoxyphenyl)-3-methyl-4-pyrazolyl]-oxomethyl]anilino]acetic acid IUPAC Name: 2-[3-cyano-4-(2,2-dimethylpropoxy)-N-[1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonyl]anilino]acetic acid Traditional Name: 2-(3-cyano-N-[1-(4-methoxyphenyl)-3-methyl-pyrazole-4-carbonyl]-4-neopentyloxy-anilino)acetic acid Formula: C26H28N4O5 MolecularWeight: 476.52432

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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=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H28N4O5/c1-17-22(14-30(28-17)19-6-9-21(34-5)10-7-19)25(33)29(15-24(31)32)20-8-11-23(18(12-20)13-27)35-16-26(2,3)4/h6-12,14H,15-16H2,1-5H3,(H,31,32)