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

Systemtic Name: (3,5-dimethylphenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (3,5-dimethylbenzyl) ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C)C

InChI

InChI=1S/C18H21NO3/c1-10-6-11(2)8-15(7-10)9-22-18(21)17-12(3)16(14(5)20)13(4)19-17/h6-8,19H,9H2,1-5H3