(3,3-dimethyl-2-oxidanylidene-butyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-(3,5-dimethylpyrazol-1-yl)benzoate Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)OCC(=O)C(C)(C)C)C

InChI

InChI=1S/C18H22N2O3/c1-12-10-13(2)20(19-12)15-8-6-14(7-9-15)17(22)23-11-16(21)18(3,4)5/h6-10H,11H2,1-5H3