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

Systemtic Name: (2,5-dimethylphenyl)methyl 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid (2,5-dimethylbenzyl) ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C16H17NO3/c1-10-4-5-11(2)14(6-10)9-20-16(19)15-7-13(8-17-15)12(3)18/h4-8,17H,9H2,1-3H3