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

Systemtic Name: cyclohexyl (4S)-4-(3-iodanylphenyl)-2,7,7-trimethyl-5-oxidanylidene-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclohexyl (4S)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(3-iodophenyl)-5-keto-2,7,7-trimethyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid cyclohexyl ester Formula: C25H30INO3 MolecularWeight: 519.41507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CC(=CC=C4)I)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC3CCCCC3)C4=CC(=CC=C4)I)C(=O)CC(C2)(C)C

InChI

InChI=1S/C25H30INO3/c1-15-21(24(29)30-18-10-5-4-6-11-18)22(16-8-7-9-17(26)12-16)23-19(27-15)13-25(2,3)14-20(23)28/h7-9,12,18,21-22H,4-6,10-11,13-14H2,1-3H3/t21?,22-/m1/s1