(phenylmethyl) (2S,3S)-2-(3-chloranylpropyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydropyridine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,3S)-2-(3-chloranylpropyl)-3-oxidanyl-4-oxidanylidene-2,3-dihydropyridine-1-carboxylate Openeye Name: benzyl (2S,3S)-2-(3-chloropropyl)-3-hydroxy-4-oxo-2,3-dihydropyridine-1-carboxylate CAS Name: (2S,3S)-2-(3-chloropropyl)-3-hydroxy-4-oxo-2,3-dihydropyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-2-(3-chloropropyl)-3-hydroxy-4-oxo-2,3-dihydropyridine-1-carboxylate Traditional Name: (2S,3S)-2-(3-chloropropyl)-3-hydroxy-4-keto-2,3-dihydropyridine-1-carboxylic acid benzyl ester Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C=CC(=O)C(C2CCCCl)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C=CC(=O)[C@H]([C@@H]2CCCCl)O

InChI

InChI=1S/C16H18ClNO4/c17-9-4-7-13-15(20)14(19)8-10-18(13)16(21)22-11-12-5-2-1-3-6-12/h1-3,5-6,8,10,13,15,20H,4,7,9,11H2/t13-,15-/m0/s1