3-oxidanylidenebutan-2-yl 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=NN(C=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=NN(C=C1C2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-14(25)15(2)29-22(26)21-18(13-24(23-21)17-8-6-5-7-9-17)16-10-11-19(27-3)20(12-16)28-4/h5-13,15H,1-4H3