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

Systemtic Name: (phenylmethyl) (2S,3S)-3-acetyloxy-2-(3-chloranylpropyl)-4-oxidanylidene-2,3-dihydropyridine-1-carboxylate Openeye Name: benzyl (2S,3S)-3-acetoxy-2-(3-chloropropyl)-4-oxo-2,3-dihydropyridine-1-carboxylate CAS Name: (2S,3S)-3-acetyloxy-2-(3-chloropropyl)-4-oxo-2,3-dihydropyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-3-acetyloxy-2-(3-chloropropyl)-4-oxo-2,3-dihydropyridine-1-carboxylate Traditional Name: (2S,3S)-3-acetoxy-2-(3-chloropropyl)-4-keto-2,3-dihydropyridine-1-carboxylic acid benzyl ester Formula: C18H20ClNO5 MolecularWeight: 365.8081

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(N(C=CC1=O)C(=O)OCC2=CC=CC=C2)CCCCl

Isomeric SMILES

CC(=O)O[C@H]1[C@@H](N(C=CC1=O)C(=O)OCC2=CC=CC=C2)CCCCl

InChI

InChI=1S/C18H20ClNO5/c1-13(21)25-17-15(8-5-10-19)20(11-9-16(17)22)18(23)24-12-14-6-3-2-4-7-14/h2-4,6-7,9,11,15,17H,5,8,10,12H2,1H3/t15-,17-/m0/s1