(5-ethanoyl-2-methoxy-phenyl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=C(C=CC(=C2)C(=O)C)OC)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O4/c1-14-20(21(23)25(24-14)12-16-7-5-4-6-8-16)22(27)29-13-18-11-17(15(2)26)9-10-19(18)28-3/h4-11H,12-13H2,1-3H3