methyl (4S)-4-(4-iodophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4S)-4-(4-iodophenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-4-(4-iodophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-iodophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-iodophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-iodophenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C20H22INO3 MolecularWeight: 451.29805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC=C(C=C3)I)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=CC=C(C=C3)I)C(=O)CC(C2)(C)C

InChI

InChI=1S/C20H22INO3/c1-11-16(19(24)25-4)17(12-5-7-13(21)8-6-12)18-14(22-11)9-20(2,3)10-15(18)23/h5-8,16-17H,9-10H2,1-4H3/t16?,17-/m1/s1