ethyl (4R)-2-ethyl-4-(2-iodanylphenyl)-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4R)-2-ethyl-4-(2-iodanylphenyl)-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4R)-2-ethyl-4-(2-iodophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2-ethyl-4-(2-iodophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-2-ethyl-4-(2-iodophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-2-ethyl-4-(2-iodophenyl)-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C22H26INO3 MolecularWeight: 479.35121

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3I)C(=O)OCC

Isomeric SMILES

CCC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3I)C(=O)OCC

InChI

InChI=1S/C22H26INO3/c1-5-15-20(21(26)27-6-2)18(13-9-7-8-10-14(13)23)19-16(24-15)11-22(3,4)12-17(19)25/h7-10,18,24H,5-6,11-12H2,1-4H3/t18-/m1/s1