methyl 4-azanyl-3-(3-methylbutan-2-yl)-1,5-bis(oxidanyl)cyclohexane-1-carboxylate

Systemtic Name: methyl 4-azanyl-3-(3-methylbutan-2-yl)-1,5-bis(oxidanyl)cyclohexane-1-carboxylate Openeye Name: methyl 4-amino-3-(1,2-dimethylpropyl)-1,5-dihydroxy-cyclohexanecarboxylate CAS Name: 4-amino-1,3-dihydroxy-5-(3-methylbutan-2-yl)-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-1,3-dihydroxy-5-(3-methylbutan-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-amino-3-(1,2-dimethylpropyl)-1,5-dihydroxy-cyclohexanecarboxylic acid methyl ester Formula: C13H25NO4 MolecularWeight: 259.3419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C1CC(CC(C1N)O)(C(=O)OC)O

Isomeric SMILES

CC(C)C(C)C1CC(CC(C1N)O)(C(=O)OC)O

InChI

InChI=1S/C13H25NO4/c1-7(2)8(3)9-5-13(17,12(16)18-4)6-10(15)11(9)14/h7-11,15,17H,5-6,14H2,1-4H3