ethyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-(2-bromo-4,5-dimethoxy-phenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC(=C(C=C3Br)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC(=C(C=C3Br)OC)OC)C

InChI

InChI=1S/C21H24BrNO5/c1-5-28-21(25)18-11(2)23-14-7-6-8-15(24)20(14)19(18)12-9-16(26-3)17(27-4)10-13(12)22/h7,9-10,19-20,23H,5-6,8H2,1-4H3