methyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-7,7-dimethyl-2-methylene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)OC)C3=CC(=C(C(=C3)Br)O)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)OC)C3=CC(=C(C(=C3)Br)O)OC)C(=O)C1)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/h6-7,16-17,23,25H,1,8-9H2,2-5H3