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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CN(N=C1C2=CC=CC=C2OC)CC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O4/c1-24(2,3)21(27)16-30-23(28)19-15-26(14-17-10-6-5-7-11-17)25-22(19)18-12-8-9-13-20(18)29-4/h5-13,15H,14,16H2,1-4H3