methyl (2S,3R,6S)-2-(4-acetyloxybutyl)-3-methyl-1,2,3,6-tetrahydropyridine-6-carboxylate

Systemtic Name: methyl (2S,3R,6S)-2-(4-acetyloxybutyl)-3-methyl-1,2,3,6-tetrahydropyridine-6-carboxylate Openeye Name: methyl (2S,3R,6S)-2-(4-acetoxybutyl)-3-methyl-1,2,3,6-tetrahydropyridine-6-carboxylate CAS Name: (2S,3R,6S)-2-(4-acetyloxybutyl)-3-methyl-1,2,3,6-tetrahydropyridine-6-carboxylic acid methyl ester IUPAC Name: methyl (2S,3R,6S)-2-(4-acetyloxybutyl)-3-methyl-1,2,3,6-tetrahydropyridine-6-carboxylate Traditional Name: (2S,3R,6S)-2-(4-acetoxybutyl)-3-methyl-1,2,3,6-tetrahydropyridine-6-carboxylic acid methyl ester Formula: C14H23NO4 MolecularWeight: 269.33672

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(NC1CCCCOC(=O)C)C(=O)OC

Isomeric SMILES

C[C@@H]1C=C[C@H](N[C@H]1CCCCOC(=O)C)C(=O)OC

InChI

InChI=1S/C14H23NO4/c1-10-7-8-13(14(17)18-3)15-12(10)6-4-5-9-19-11(2)16/h7-8,10,12-13,15H,4-6,9H2,1-3H3/t10-,12+,13+/m1/s1