[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O4/c1-4-27-19-12-10-17(11-13-19)20(25)14-28-22(26)21-15(2)23-24(16(21)3)18-8-6-5-7-9-18/h5-13H,4,14H2,1-3H3