phenylcarbonyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: phenylcarbonyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzoyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzoyl ester IUPAC Name: benzoyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzoyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=C1C)C(=O)OC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(NC(=C1C)C(=O)OC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H17NO3/c1-4-13-10(2)14(17-11(13)3)16(19)20-15(18)12-8-6-5-7-9-12/h5-9,17H,4H2,1-3H3