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

Systemtic Name: propyl (4S)-4-(3-bromanyl-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: propyl (4S)-4-(3-bromo-4-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S)-4-(3-bromo-4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-4-methoxy-phenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO4/c1-6-9-29-22(27)19-13(2)25-16-11-23(3,4)12-17(26)21(16)20(19)14-7-8-18(28-5)15(24)10-14/h7-8,10,20,25H,6,9,11-12H2,1-5H3/t20-/m1/s1