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

Systemtic Name: 2-methoxyethyl (4S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C21H24BrNO6 MolecularWeight: 466.32236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO6/c1-11-17(21(26)29-8-7-27-2)18(19-14(23-11)5-4-6-15(19)24)12-9-13(22)20(25)16(10-12)28-3/h9-10,17-18,25H,4-8H2,1-3H3/t17?,18-/m1/s1