methyl (4aS,8aR)-1-(2-bromanylethanoyl)-5-methoxy-7-oxidanylidene-8-phenyl-3,4,8,8a-tetrahydro-2H-quinoline-4a-carboxylate

Systemtic Name: methyl (4aS,8aR)-1-(2-bromanylethanoyl)-5-methoxy-7-oxidanylidene-8-phenyl-3,4,8,8a-tetrahydro-2H-quinoline-4a-carboxylate Openeye Name: methyl (4aS,8aR)-1-(2-bromoacetyl)-5-methoxy-7-oxo-8-phenyl-3,4,8,8a-tetrahydro-2H-quinoline-4a-carboxylate CAS Name: (4aS,8aR)-1-(2-bromo-1-oxoethyl)-5-methoxy-7-oxo-8-phenyl-3,4,8,8a-tetrahydro-2H-quinoline-4a-carboxylic acid methyl ester IUPAC Name: methyl (4aS,8aR)-1-(2-bromoacetyl)-5-methoxy-7-oxo-8-phenyl-3,4,8,8a-tetrahydro-2H-quinoline-4a-carboxylate Traditional Name: (4aS,8aR)-1-(2-bromoacetyl)-7-keto-5-methoxy-8-phenyl-3,4,8,8a-tetrahydro-2H-quinoline-4a-carboxylic acid methyl ester Formula: C20H22BrNO5 MolecularWeight: 436.29638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(C2C1(CCCN2C(=O)CBr)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=O)C([C@@H]2[C@]1(CCCN2C(=O)CBr)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H22BrNO5/c1-26-15-11-14(23)17(13-7-4-3-5-8-13)18-20(15,19(25)27-2)9-6-10-22(18)16(24)12-21/h3-5,7-8,11,17-18H,6,9-10,12H2,1-2H3/t17?,18-,20-/m1/s1