ethyl 5-[2-[4-(3-bromanylphenoxy)butanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[4-(3-bromanylphenoxy)butanoyloxy]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-(3-bromophenoxy)butanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(3-bromophenoxy)-1-oxobutoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[4-(3-bromophenoxy)butanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(3-bromophenoxy)butanoyloxy]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCCOC2=CC(=CC=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)CCCOC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C21H24BrNO6/c1-4-27-21(26)19-13(2)20(23-14(19)3)17(24)12-29-18(25)9-6-10-28-16-8-5-7-15(22)11-16/h5,7-8,11,23H,4,6,9-10,12H2,1-3H3