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

Systemtic Name: pentyl (4S)-4-(2-iodanylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4S)-4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(2-iodophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C24H30INO3 MolecularWeight: 507.40437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3I)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3I)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C24H30INO3/c1-5-6-9-12-29-23(28)20-15(2)26-18-13-24(3,4)14-19(27)22(18)21(20)16-10-7-8-11-17(16)25/h7-8,10-11,21,26H,5-6,9,12-14H2,1-4H3/t21-/m1/s1