propyl (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: propyl (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: propyl (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid propyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CCC2)C

Isomeric SMILES

CCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=C(C(=C3)Br)O)OC)C(=O)CCC2)C

InChI

InChI=1S/C21H24BrNO5/c1-4-8-28-21(26)17-11(2)23-14-6-5-7-15(24)19(14)18(17)12-9-13(22)20(25)16(10-12)27-3/h9-10,18,23,25H,4-8H2,1-3H3/t18-/m1/s1