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

Systemtic Name: ethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H24BrNO5 MolecularWeight: 462.33366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Br)OCO4)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C22H24BrNO5/c1-5-27-21(26)18-11(2)24-14-8-22(3,4)9-15(25)20(14)19(18)12-6-16-17(7-13(12)23)29-10-28-16/h6-7,19,24H,5,8-10H2,1-4H3