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

Systemtic Name: [2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(2-methyl-1-piperidyl)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(2-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-(2-methylpiperidino)ethyl] ester Formula: C18H20BrNO4 MolecularWeight: 394.2597

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CC1CCCCN1C(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C18H20BrNO4/c1-11-5-3-4-8-20(11)16(21)10-23-18(22)17-12(2)14-9-13(19)6-7-15(14)24-17/h6-7,9,11H,3-5,8,10H2,1-2H3