(3R,4S,5R)-4-acetamido-5-(acetyloxymethyl)-3-methoxy-cyclohexene-1-carboxylic acid

Systemtic Name: (3R,4S,5R)-4-acetamido-5-(acetyloxymethyl)-3-methoxy-cyclohexene-1-carboxylic acid Openeye Name: (3R,4S,5R)-4-acetamido-5-(acetoxymethyl)-3-methoxy-cyclohexene-1-carboxylic acid CAS Name: (3R,4S,5R)-4-acetamido-5-(acetyloxymethyl)-3-methoxy-1-cyclohexenecarboxylic acid IUPAC Name: (3R,4S,5R)-4-acetamido-5-(acetyloxymethyl)-3-methoxycyclohexene-1-carboxylic acid Traditional Name: (3R,4S,5R)-4-acetamido-5-(acetoxymethyl)-3-methoxy-cyclohexene-1-carboxylic acid Formula: C13H19NO6 MolecularWeight: 285.29306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CC(=CC1OC)C(=O)O)COC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO6/c1-7(15)14-12-10(6-20-8(2)16)4-9(13(17)18)5-11(12)19-3/h5,10-12H,4,6H2,1-3H3,(H,14,15)(H,17,18)/t10-,11+,12-/m0/s1