2-ethoxyethyl (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-ethoxyethyl (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethoxyethyl (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-ethoxyethyl ester Formula: C24H30BrNO6 MolecularWeight: 508.4021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C24H30BrNO6/c1-6-31-7-8-32-23(29)19-13(2)26-16-11-24(3,4)12-17(27)21(16)20(19)14-9-15(25)22(28)18(10-14)30-5/h9-10,20,26,28H,6-8,11-12H2,1-5H3/t20-/m1/s1