ethyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-ethyl-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-ethyl-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-ethyl-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-ethyl-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C23H28BrNO5 MolecularWeight: 478.37612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCC

Isomeric SMILES

CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C(=C3)Br)O)OC)C(=O)OCC

InChI

InChI=1S/C23H28BrNO5/c1-6-14-20(22(28)30-7-2)18(12-8-13(24)21(27)17(9-12)29-5)19-15(25-14)10-23(3,4)11-16(19)26/h8-9,18,25,27H,6-7,10-11H2,1-5H3