[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(3,5-dimethylpiperidino)-2-keto-ethyl] ester Formula: C19H22BrNO4 MolecularWeight: 408.28628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C)C

InChI

InChI=1S/C19H22BrNO4/c1-11-6-12(2)9-21(8-11)17(22)10-24-19(23)18-13(3)15-7-14(20)4-5-16(15)25-18/h4-5,7,11-12H,6,8-10H2,1-3H3