methyl 4-(2-bromanyl-3,4,5-trimethoxy-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: methyl 4-(2-bromanyl-3,4,5-trimethoxy-phenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: methyl 4-(2-bromo-3,4,5-trimethoxy-phenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: 4-(2-bromo-3,4,5-trimethoxyphenyl)-2-methylene-6-oxo-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(2-bromo-3,4,5-trimethoxyphenyl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: 4-(2-bromo-3,4,5-trimethoxy-phenyl)-6-keto-2-methylene-nipecotic acid methyl ester Formula: C17H20BrNO6 MolecularWeight: 414.2478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2CC(=O)NC(=C)C2C(=O)OC)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2CC(=O)NC(=C)C2C(=O)OC)Br)OC)OC

InChI

InChI=1S/C17H20BrNO6/c1-8-13(17(21)25-5)9(7-12(20)19-8)10-6-11(22-2)15(23-3)16(24-4)14(10)18/h6,9,13H,1,7H2,2-5H3,(H,19,20)