[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 1-benzylpyrazole-4-carboxylate CAS Name: 1-(phenylmethyl)-4-pyrazolecarboxylic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)OC(=O)C2=CN(N=C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O3/c1-15-9-10-19(11-16(15)2)21(25)17(3)27-22(26)20-12-23-24(14-20)13-18-7-5-4-6-8-18/h4-12,14,17H,13H2,1-3H3