(2-bromanyl-4,5-diethoxy-phenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C20H24BrNO5 MolecularWeight: 438.31226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)C2=C(C(=C(N2)C)C(=O)C)C)Br)OCC

InChI

InChI=1S/C20H24BrNO5/c1-6-25-16-8-14(15(21)9-17(16)26-7-2)10-27-20(24)19-11(3)18(13(5)23)12(4)22-19/h8-9,22H,6-7,10H2,1-5H3