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

Systemtic Name: butyl (4S)-4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: butyl (4S)-4-(3-bromo-4-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-4-(3-bromo-4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-4-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butyl ester Formula: C22H26BrNO4 MolecularWeight: 448.35014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrNO4/c1-4-5-11-28-22(26)19-13(2)24-16-7-6-8-17(25)21(16)20(19)14-9-10-18(27-3)15(23)12-14/h9-10,12,20,24H,4-8,11H2,1-3H3/t20-/m1/s1