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

Systemtic Name: butan-2-yl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C23H28BrNO5 MolecularWeight: 478.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C23H28BrNO5/c1-6-12(2)30-23(27)20-13(3)25-16-8-7-9-17(26)22(16)21(20)14-10-18(28-4)19(29-5)11-15(14)24/h10-12,20-21,25H,3,6-9H2,1-2,4-5H3