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

Systemtic Name: ethyl 4-(4-ethoxyphenyl)carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(4-ethoxybenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(4-ethoxyphenyl)-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxybenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(4-ethoxybenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=C(NC(=C2C)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C(NC(=C2C)C(=O)OCC)C

InChI

InChI=1S/C18H21NO4/c1-5-22-14-9-7-13(8-10-14)17(20)15-11(3)16(19-12(15)4)18(21)23-6-2/h7-10,19H,5-6H2,1-4H3