methyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: methyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: methyl 4-(2-bromo-4,5-dimethoxy-phenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid methyl ester Formula: C20H22BrNO5 MolecularWeight: 436.29638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OC)Br)OC

InChI

InChI=1S/C20H22BrNO5/c1-10-17(20(24)27-4)18(19-13(22-10)6-5-7-14(19)23)11-8-15(25-2)16(26-3)9-12(11)21/h8-9,17-18,22H,1,5-7H2,2-4H3