3-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]amino]-2-(3-methylpyrazol-1-yl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[3-cyano-4-(2,2-dimethylpropoxy)phenyl]amino]-2-(3-methylpyrazol-1-yl)-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-cyano-4-(2,2-dimethylpropoxy)anilino]-2-(3-methylpyrazol-1-yl)-3-oxo-propanoic acid CAS Name: 3-[3-cyano-4-(2,2-dimethylpropoxy)anilino]-2-(3-methyl-1-pyrazolyl)-3-oxopropanoic acid IUPAC Name: 3-[3-cyano-4-(2,2-dimethylpropoxy)anilino]-2-(3-methylpyrazol-1-yl)-3-oxopropanoic acid Traditional Name: 3-(3-cyano-4-neopentyloxy-anilino)-3-keto-2-(3-methylpyrazol-1-yl)propionic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)C(C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N)C(=O)O

Isomeric SMILES

CC1=NN(C=C1)C(C(=O)NC2=CC(=C(C=C2)OCC(C)(C)C)C#N)C(=O)O

InChI

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