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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)(C)C

InChI

InChI=1S/C21H24BrNO5/c1-10-16(20(26)28-5)17(11-6-12(22)19(25)15(7-11)27-4)18-13(23-10)8-21(2,3)9-14(18)24/h6-7,16-17,25H,8-9H2,1-5H3/t16?,17-/m1/s1