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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(C1C(=O)OCC)C3=CC(=CC=C3)I)C(=O)CC(C2)(C)C

Isomeric SMILES

CCC1=NC2=C([C@@H](C1C(=O)OCC)C3=CC(=CC=C3)I)C(=O)CC(C2)(C)C

InChI

InChI=1S/C22H26INO3/c1-5-15-20(21(26)27-6-2)18(13-8-7-9-14(23)10-13)19-16(24-15)11-22(3,4)12-17(19)25/h7-10,18,20H,5-6,11-12H2,1-4H3/t18-,20?/m0/s1