tert-butyl (3R,4S,5R)-4,5-bis(methoxymethyl)-3-methyl-3-oxidanyl-4,5-dihydro-2H-azepine-1-carboxylate

Systemtic Name: tert-butyl (3R,4S,5R)-4,5-bis(methoxymethyl)-3-methyl-3-oxidanyl-4,5-dihydro-2H-azepine-1-carboxylate Openeye Name: tert-butyl (3R,4S,5R)-3-hydroxy-4,5-bis(methoxymethyl)-3-methyl-4,5-dihydro-2H-azepine-1-carboxylate CAS Name: (3R,4S,5R)-3-hydroxy-4,5-bis(methoxymethyl)-3-methyl-4,5-dihydro-2H-azepine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4S,5R)-3-hydroxy-4,5-bis(methoxymethyl)-3-methyl-4,5-dihydro-2H-azepine-1-carboxylate Traditional Name: (3R,4S,5R)-3-hydroxy-4,5-bis(methoxymethyl)-3-methyl-4,5-dihydro-2H-azepine-1-carboxylic acid tert-butyl ester Formula: C16H29NO5 MolecularWeight: 315.40516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C=CC(C1COC)COC)C(=O)OC(C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C16H29NO5/c1-15(2,3)22-14(18)17-8-7-12(9-20-5)13(10-21-6)16(4,19)11-17/h7-8,12-13,19H,9-11H2,1-6H3/t12-,13+,16-/m0/s1