methyl (4R)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4R)-4-(2-bromanyl-4,5-dimethoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4R)-4-(2-bromo-4,5-dimethoxy-phenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(2-bromo-4,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(2-bromo-4,5-dimethoxy-phenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=C(C=C3Br)OC)OC)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=CC(=C(C=C3Br)OC)OC)C(=O)CC(C2)(C)C

InChI

InChI=1S/C22H26BrNO5/c1-11-18(21(26)29-6)19(12-7-16(27-4)17(28-5)8-13(12)23)20-14(24-11)9-22(2,3)10-15(20)25/h7-8,18-19H,9-10H2,1-6H3/t18?,19-/m1/s1