(4-pyrazol-1-ylphenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H19N3O3/c1-12-17(14(3)23)13(2)21-18(12)19(24)25-11-15-5-7-16(8-6-15)22-10-4-9-20-22/h4-10,21H,11H2,1-3H3