ethyl 5-[2-[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(5-bromo-2-methoxyphenyl)-1,4-dioxobutoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[4-(5-bromo-2-methoxyphenyl)-4-oxobutanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(5-bromo-2-methoxy-phenyl)-4-keto-butanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H24BrNO7 MolecularWeight: 494.33246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO7/c1-5-30-22(28)20-12(2)21(24-13(20)3)17(26)11-31-19(27)9-7-16(25)15-10-14(23)6-8-18(15)29-4/h6,8,10,24H,5,7,9,11H2,1-4H3