(phenylmethyl) (3S,5R)-3-(acetyloxymethyl)-5-[(1R)-1-azidobut-3-enyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S,5R)-3-(acetyloxymethyl)-5-[(1R)-1-azidobut-3-enyl]piperidine-1-carboxylate Openeye Name: benzyl (3S,5R)-3-(acetoxymethyl)-5-[(1R)-1-azidobut-3-enyl]piperidine-1-carboxylate CAS Name: (3S,5R)-3-(acetyloxymethyl)-5-[(1R)-1-azidobut-3-enyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,5R)-3-(acetyloxymethyl)-5-[(1R)-1-azidobut-3-enyl]piperidine-1-carboxylate Traditional Name: (3S,5R)-3-(acetoxymethyl)-5-[(1R)-1-azidobut-3-enyl]piperidine-1-carboxylic acid benzyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C(CC=C)N=[N+]=[N-]

Isomeric SMILES

CC(=O)OC[C@H]1C[C@H](CN(C1)C(=O)OCC2=CC=CC=C2)[C@@H](CC=C)N=[N+]=[N-]

InChI

InChI=1S/C20H26N4O4/c1-3-7-19(22-23-21)18-10-17(14-27-15(2)25)11-24(12-18)20(26)28-13-16-8-5-4-6-9-16/h3-6,8-9,17-19H,1,7,10-14H2,2H3/t17-,18+,19+/m0/s1