ethyl 4-(3-bromanyl-4-methyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-bromanyl-4-methyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(3-bromo-4-methyl-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-4-methylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methyl-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H26BrNO3 MolecularWeight: 432.35074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)C)Br)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)C)Br)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C22H26BrNO3/c1-6-27-21(26)18-13(3)24-16-10-22(4,5)11-17(25)20(16)19(18)14-8-7-12(2)15(23)9-14/h7-9,19,24H,6,10-11H2,1-5H3