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

Systemtic Name: 2-[4-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]-3-methyl-pyrazol-1-yl]acetic acid CAS Name: 2-[4-[[3-cyano-4-(2,2-dimethylpropoxy)anilino]-oxomethyl]-3-methyl-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]carbamoyl]-3-methylpyrazol-1-yl]acetic acid Traditional Name: 2-[4-[(3-cyano-4-neopentyloxy-phenyl)carbamoyl]-3-methyl-pyrazol-1-yl]acetic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N)CC(=O)O

Isomeric SMILES

CC1=NN(C=C1C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N)CC(=O)O

InChI

InChI=1S/C19H22N4O4/c1-12-15(9-23(22-12)10-17(24)25)18(26)21-14-5-6-16(13(7-14)8-20)27-11-19(2,3)4/h5-7,9H,10-11H2,1-4H3,(H,21,26)(H,24,25)