methyl 4-(3-bromanyl-4-methoxy-phenyl)-2,5,5-trimethyl-7-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 4-(3-bromanyl-4-methoxy-phenyl)-2,5,5-trimethyl-7-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-(3-bromo-4-methoxy-phenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-bromo-4-methoxyphenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-bromo-4-methoxyphenyl)-2,5,5-trimethyl-7-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromo-4-methoxy-phenyl)-7-keto-2,5,5-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(=O)CC2(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(=O)CC2(C)C)C3=CC(=C(C=C3)OC)Br)C(=O)OC

InChI

InChI=1S/C21H24BrNO4/c1-11-17(20(25)27-5)18(12-6-7-16(26-4)14(22)8-12)19-15(23-11)9-13(24)10-21(19,2)3/h6-8,18,23H,9-10H2,1-5H3