ethyl 4-methanoyl-2,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 4-methanoyl-2,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylate Openeye Name: ethyl 4-formyl-2,5-dimethyl-1-(p-tolylmethyl)pyrrole-3-carboxylate CAS Name: 4-formyl-2,5-dimethyl-1-[(4-methylphenyl)methyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-formyl-2,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrole-3-carboxylate Traditional Name: 4-formyl-2,5-dimethyl-1-(4-methylbenzyl)pyrrole-3-carboxylic acid ethyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C=O)C)CC2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C=O)C)CC2=CC=C(C=C2)C)C

InChI

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