(phenylmethyl) (2R)-6-(3-iodanylpropyl)-4-oxidanylidene-2-pentyl-2,3-dihydropyridine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-6-(3-iodanylpropyl)-4-oxidanylidene-2-pentyl-2,3-dihydropyridine-1-carboxylate Openeye Name: benzyl (2R)-6-(3-iodopropyl)-4-oxo-2-pentyl-2,3-dihydropyridine-1-carboxylate CAS Name: (2R)-6-(3-iodopropyl)-4-oxo-2-pentyl-2,3-dihydropyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-6-(3-iodopropyl)-4-oxo-2-pentyl-2,3-dihydropyridine-1-carboxylate Traditional Name: (2R)-2-amyl-6-(3-iodopropyl)-4-keto-2,3-dihydropyridine-1-carboxylic acid benzyl ester Formula: C21H28INO3 MolecularWeight: 469.35639

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(=O)C=C(N1C(=O)OCC2=CC=CC=C2)CCCI

Isomeric SMILES

CCCCC[C@@H]1CC(=O)C=C(N1C(=O)OCC2=CC=CC=C2)CCCI

InChI

InChI=1S/C21H28INO3/c1-2-3-5-11-18-14-20(24)15-19(12-8-13-22)23(18)21(25)26-16-17-9-6-4-7-10-17/h4,6-7,9-10,15,18H,2-3,5,8,11-14,16H2,1H3/t18-/m1/s1