butyl (4S)-4-(3-iodanylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: butyl (4S)-4-(3-iodanylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: butyl (4S)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester IUPAC Name: butyl (4S)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-iodophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid butyl ester Formula: C23H28INO3 MolecularWeight: 493.37779

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)I)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC(=CC=C3)I)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C23H28INO3/c1-5-6-10-28-22(27)19-14(2)25-17-12-23(3,4)13-18(26)21(17)20(19)15-8-7-9-16(24)11-15/h7-9,11,20,25H,5-6,10,12-13H2,1-4H3/t20-/m1/s1