tert-butyl N-[(2S)-1-azido-1-oxidanylidene-3-(3-phenylmethoxyphenyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-azido-1-oxidanylidene-3-(3-phenylmethoxyphenyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-azido-1-[(3-benzyloxyphenyl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-azido-1-oxo-3-(3-phenylmethoxyphenyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-azido-1-oxo-3-(3-phenylmethoxyphenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-azido-1-(3-benzoxybenzyl)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)OCC2=CC=CC=C2)C(=O)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC(=CC=C1)OCC2=CC=CC=C2)C(=O)N=[N+]=[N-]

InChI

InChI=1S/C21H24N4O4/c1-21(2,3)29-20(27)23-18(19(26)24-25-22)13-16-10-7-11-17(12-16)28-14-15-8-5-4-6-9-15/h4-12,18H,13-14H2,1-3H3,(H,23,27)/t18-/m0/s1