methyl (2S,4S)-4-azido-1-methyl-2-(phenylmethoxymethyl)azepane-4-carboxylate

Systemtic Name: methyl (2S,4S)-4-azido-1-methyl-2-(phenylmethoxymethyl)azepane-4-carboxylate Openeye Name: methyl (2S,4S)-4-azido-2-(benzyloxymethyl)-1-methyl-azepane-4-carboxylate CAS Name: (2S,4S)-4-azido-1-methyl-2-(phenylmethoxymethyl)-4-azepanecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-azido-1-methyl-2-(phenylmethoxymethyl)azepane-4-carboxylate Traditional Name: (2S,4S)-4-azido-2-(benzoxymethyl)-1-methyl-azepane-4-carboxylic acid methyl ester Formula: C17H24N4O3 MolecularWeight: 332.39746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(CC1COCC2=CC=CC=C2)(C(=O)OC)N=[N+]=[N-]

Isomeric SMILES

CN1CCC[C@](C[C@H]1COCC2=CC=CC=C2)(C(=O)OC)N=[N+]=[N-]

InChI

InChI=1S/C17H24N4O3/c1-21-10-6-9-17(19-20-18,16(22)23-2)11-15(21)13-24-12-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3/t15-,17-/m0/s1