phenyl 5-iodanyl-4-oxidanylidene-2-(3-phenylmethoxypropyl)-2,3-dihydropyridine-1-carboxylate

Systemtic Name: phenyl 5-iodanyl-4-oxidanylidene-2-(3-phenylmethoxypropyl)-2,3-dihydropyridine-1-carboxylate Openeye Name: phenyl 2-(3-benzyloxypropyl)-5-iodo-4-oxo-2,3-dihydropyridine-1-carboxylate CAS Name: 5-iodo-4-oxo-2-(3-phenylmethoxypropyl)-2,3-dihydropyridine-1-carboxylic acid phenyl ester IUPAC Name: phenyl 5-iodo-4-oxo-2-(3-phenylmethoxypropyl)-2,3-dihydropyridine-1-carboxylate Traditional Name: 2-(3-benzoxypropyl)-5-iodo-4-keto-2,3-dihydropyridine-1-carboxylic acid phenyl ester Formula: C22H22INO4 MolecularWeight: 491.31885

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C=C(C1=O)I)C(=O)OC2=CC=CC=C2)CCCOCC3=CC=CC=C3

Isomeric SMILES

C1C(N(C=C(C1=O)I)C(=O)OC2=CC=CC=C2)CCCOCC3=CC=CC=C3

InChI

InChI=1S/C22H22INO4/c23-20-15-24(22(26)28-19-11-5-2-6-12-19)18(14-21(20)25)10-7-13-27-16-17-8-3-1-4-9-17/h1-6,8-9,11-12,15,18H,7,10,13-14,16H2