(3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C23H24N2O4/c1-23(2,3)20(26)15-29-22(27)19-14-25(17-8-6-5-7-9-17)24-21(19)16-10-12-18(28-4)13-11-16/h5-14H,15H2,1-4H3