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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C2=CC=CC=C2)C

InChI

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