2-ethoxyethyl (4S)-4-(3-bromanyl-5-ethoxy-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-ethoxy-4-oxidanyl-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-ethoxyethyl (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-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-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-ethoxyethyl ester Formula: C25H32BrNO6 MolecularWeight: 522.42868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrNO6/c1-6-31-8-9-33-24(30)20-14(3)27-17-12-25(4,5)13-18(28)22(17)21(20)15-10-16(26)23(29)19(11-15)32-7-2/h10-11,21,27,29H,6-9,12-13H2,1-5H3/t21-/m1/s1