methyl 2-[1-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C17H21BrN2O6 MolecularWeight: 429.26244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC(=O)N2CCNC(=O)C2CC(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC(=O)N2CCNC(=O)C2CC(=O)OC)Br)OC

InChI

InChI=1S/C17H21BrN2O6/c1-24-13-6-10(11(18)8-14(13)25-2)7-15(21)20-5-4-19-17(23)12(20)9-16(22)26-3/h6,8,12H,4-5,7,9H2,1-3H3,(H,19,23)