[(1S,2S)-1-azido-3-(2-methylpropoxy)-3-oxidanylidene-1-phenyl-propan-2-yl] benzoate

Systemtic Name: [(1S,2S)-1-azido-3-(2-methylpropoxy)-3-oxidanylidene-1-phenyl-propan-2-yl] benzoate Openeye Name: [(1S)-1-[(S)-azido(phenyl)methyl]-2-isobutoxy-2-oxo-ethyl] benzoate CAS Name: benzoic acid [(1S,2S)-1-azido-3-(2-methylpropoxy)-3-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(1S,2S)-1-azido-3-(2-methylpropoxy)-3-oxo-1-phenylpropan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(S)-azido(phenyl)methyl]-2-isobutoxy-2-keto-ethyl] ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(C(C1=CC=CC=C1)N=[N+]=[N-])OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c1-14(2)13-26-20(25)18(27-19(24)16-11-7-4-8-12-16)17(22-23-21)15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3/t17-,18-/m0/s1