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

Systemtic Name: (4-methoxyphenyl)methyl (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (4S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid p-anisyl ester Formula: C26H26BrNO6 MolecularWeight: 528.39174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=C(C=C3)OC)C4=CC(=C(C(=C4)Br)O)OC)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC3=CC=C(C=C3)OC)C4=CC(=C(C(=C4)Br)O)OC)C(=O)CCC2

InChI

InChI=1S/C26H26BrNO6/c1-14-22(26(31)34-13-15-7-9-17(32-2)10-8-15)23(24-19(28-14)5-4-6-20(24)29)16-11-18(27)25(30)21(12-16)33-3/h7-12,22-23,30H,4-6,13H2,1-3H3/t22?,23-/m1/s1