butyl (4S)-4-(4-iodophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: butyl (4S)-4-(4-iodophenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: butyl (4S)-4-(4-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4S)-4-(4-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-4-(4-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4S)-4-(4-iodophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid butyl ester Formula: C21H24INO3 MolecularWeight: 465.32463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)I)C(=O)CCC2)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=C(C=C3)I)C(=O)CCC2)C

InChI

InChI=1S/C21H24INO3/c1-3-4-12-26-21(25)18-13(2)23-16-6-5-7-17(24)20(16)19(18)14-8-10-15(22)11-9-14/h8-11,19,23H,3-7,12H2,1-2H3/t19-/m1/s1