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

Systemtic Name: (phenylmethyl) (2S,3S)-2-(3-chloranylpropyl)-3-methyl-4-oxidanylidene-2,3-dihydropyridine-1-carboxylate Openeye Name: benzyl (2S,3S)-2-(3-chloropropyl)-3-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate CAS Name: (2S,3S)-2-(3-chloropropyl)-3-methyl-4-oxo-2,3-dihydropyridine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,3S)-2-(3-chloropropyl)-3-methyl-4-oxo-2,3-dihydropyridine-1-carboxylate Traditional Name: (2S,3S)-2-(3-chloropropyl)-4-keto-3-methyl-2,3-dihydropyridine-1-carboxylic acid benzyl ester Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(C=CC1=O)C(=O)OCC2=CC=CC=C2)CCCCl

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClNO3/c1-13-15(8-5-10-18)19(11-9-16(13)20)17(21)22-12-14-6-3-2-4-7-14/h2-4,6-7,9,11,13,15H,5,8,10,12H2,1H3/t13-,15-/m0/s1