methyl (1R,2R)-2-acetamidocyclohexane-1-carboxylate; methyl (1S,2S)-2-azanylcyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2R)-2-acetamidocyclohexane-1-carboxylate; methyl (1S,2S)-2-azanylcyclohexane-1-carboxylate Openeye Name: methyl (1R,2R)-2-acetamidocyclohexanecarboxylate; methyl (1S,2S)-2-aminocyclohexanecarboxylate CAS Name: (1R,2R)-2-acetamido-1-cyclohexanecarboxylic acid methyl ester; (1S,2S)-2-amino-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R)-2-acetamidocyclohexane-1-carboxylate; methyl (1S,2S)-2-aminocyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-acetamidocyclohexanecarboxylic acid methyl ester; (1S,2S)-2-aminocyclohexanecarboxylic acid methyl ester Formula: C18H32N2O5 MolecularWeight: 356.45708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCCCC1C(=O)OC.COC(=O)C1CCCCC1N

Isomeric SMILES

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

InChI

InChI=1S/C10H17NO3.C8H15NO2/c1-7(12)11-9-6-4-3-5-8(9)10(13)14-2;1-11-8(10)6-4-2-3-5-7(6)9/h8-9H,3-6H2,1-2H3,(H,11,12);6-7H,2-5,9H2,1H3/t8-,9-;6-,7-/m10/s1