diethyl 2-[2-[3-bromanyl-2-(phenylcarbonyl)pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: diethyl 2-[2-[3-bromanyl-2-(phenylcarbonyl)pyrrol-1-yl]ethyl]propanedioate Openeye Name: diethyl 2-[2-(2-benzoyl-3-bromo-pyrrol-1-yl)ethyl]propanedioate CAS Name: 2-[2-(2-benzoyl-3-bromo-1-pyrrolyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(2-benzoyl-3-bromopyrrol-1-yl)ethyl]propanedioate Traditional Name: 2-[2-(2-benzoyl-3-bromo-pyrrol-1-yl)ethyl]malonic acid diethyl ester Formula: C20H22BrNO5 MolecularWeight: 436.29638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN1C=CC(=C1C(=O)C2=CC=CC=C2)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCN1C=CC(=C1C(=O)C2=CC=CC=C2)Br)C(=O)OCC

InChI

InChI=1S/C20H22BrNO5/c1-3-26-19(24)15(20(25)27-4-2)10-12-22-13-11-16(21)17(22)18(23)14-8-6-5-7-9-14/h5-9,11,13,15H,3-4,10,12H2,1-2H3