(phenylmethyl) (3S,5R)-3-(acetyloxymethyl)-5-(but-3-ynylcarbamoyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S,5R)-3-(acetyloxymethyl)-5-(but-3-ynylcarbamoyl)piperidine-1-carboxylate Openeye Name: benzyl (3S,5R)-3-(acetoxymethyl)-5-(but-3-ynylcarbamoyl)piperidine-1-carboxylate CAS Name: (3S,5R)-3-(acetyloxymethyl)-5-[(but-3-ynylamino)-oxomethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,5R)-3-(acetyloxymethyl)-5-(but-3-ynylcarbamoyl)piperidine-1-carboxylate Traditional Name: (3S,5R)-3-(acetoxymethyl)-5-(but-3-ynylcarbamoyl)piperidine-1-carboxylic acid benzyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCCC#C

Isomeric SMILES

CC(=O)OC[C@H]1C[C@H](CN(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCCC#C

InChI

InChI=1S/C21H26N2O5/c1-3-4-10-22-20(25)19-11-18(15-27-16(2)24)12-23(13-19)21(26)28-14-17-8-6-5-7-9-17/h1,5-9,18-19H,4,10-15H2,2H3,(H,22,25)/t18-,19+/m0/s1