methyl 1-ethanoyl-5-methyl-3-(3-phenylmethoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: methyl 1-ethanoyl-5-methyl-3-(3-phenylmethoxyphenyl)pyrazole-4-carboxylate Openeye Name: methyl 1-acetyl-3-(3-benzyloxyphenyl)-5-methyl-pyrazole-4-carboxylate CAS Name: 1-acetyl-5-methyl-3-(3-phenylmethoxyphenyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-5-methyl-3-(3-phenylmethoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-acetyl-3-(3-benzoxyphenyl)-5-methyl-pyrazole-4-carboxylic acid methyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C(=O)C)C2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O4/c1-14-19(21(25)26-3)20(22-23(14)15(2)24)17-10-7-11-18(12-17)27-13-16-8-5-4-6-9-16/h4-12H,13H2,1-3H3