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

Systemtic Name: (phenylmethyl) (4S)-4-(2-iodanylphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C24H22INO3 MolecularWeight: 499.34085

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4I)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4I)C(=O)CCC2

InChI

InChI=1S/C24H22INO3/c1-15-21(24(28)29-14-16-8-3-2-4-9-16)22(17-10-5-6-11-18(17)25)23-19(26-15)12-7-13-20(23)27/h2-6,8-11,21-22H,7,12-14H2,1H3/t21?,22-/m0/s1