ethyl (3R,4S,5R)-5-azanyl-4-oxidanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate

Systemtic Name: ethyl (3R,4S,5R)-5-azanyl-4-oxidanyl-3-pentan-3-yloxy-cyclohexene-1-carboxylate Openeye Name: ethyl (3R,4S,5R)-5-amino-3-(1-ethylpropoxy)-4-hydroxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-5-amino-4-hydroxy-3-pentan-3-yloxy-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (3R,4S,5R)-5-amino-4-hydroxy-3-pentan-3-yloxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-5-amino-3-(1-ethylpropoxy)-4-hydroxy-cyclohexene-1-carboxylic acid ethyl ester Formula: C14H25NO4 MolecularWeight: 271.3526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1C=C(CC(C1O)N)C(=O)OCC

Isomeric SMILES

CCC(CC)O[C@@H]1C=C(C[C@H]([C@@H]1O)N)C(=O)OCC

InChI

InChI=1S/C14H25NO4/c1-4-10(5-2)19-12-8-9(14(17)18-6-3)7-11(15)13(12)16/h8,10-13,16H,4-7,15H2,1-3H3/t11-,12-,13+/m1/s1