ethyl 4-(3-bromophenyl)-2,6,6-trimethyl-5-oxidanylidene-1,4,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-bromophenyl)-2,6,6-trimethyl-5-oxidanylidene-1,4,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(3-bromophenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-bromophenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-bromophenyl)-2,6,6-trimethyl-5-oxo-1,4,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(3-bromophenyl)-5-keto-2,6,6-trimethyl-1,4,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Br)C(=O)C(CC2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)Br)C(=O)C(CC2)(C)C)C

InChI

InChI=1S/C21H24BrNO3/c1-5-26-20(25)16-12(2)23-15-9-10-21(3,4)19(24)18(15)17(16)13-7-6-8-14(22)11-13/h6-8,11,17,23H,5,9-10H2,1-4H3