cyclohexyl (4S)-4-(2-iodanylphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: cyclohexyl (4S)-4-(2-iodanylphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: cyclohexyl (4S)-4-(2-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S)-4-(2-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl (4S)-4-(2-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S)-4-(2-iodophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid cyclohexyl ester Formula: C23H26INO3 MolecularWeight: 491.36191

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC3CCCCC3)C4=CC=CC=C4I)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OC3CCCCC3)C4=CC=CC=C4I)C(=O)CCC2

InChI

InChI=1S/C23H26INO3/c1-14-20(23(27)28-15-8-3-2-4-9-15)21(16-10-5-6-11-17(16)24)22-18(25-14)12-7-13-19(22)26/h5-6,10-11,15,20-21H,2-4,7-9,12-13H2,1H3/t20?,21-/m0/s1