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

Systemtic Name: (phenylmethyl) (3R,5S)-3-(but-3-ynylcarbamoyl)-5-methanoyl-piperidine-1-carboxylate Openeye Name: benzyl (3R,5S)-3-(but-3-ynylcarbamoyl)-5-formyl-piperidine-1-carboxylate CAS Name: (3R,5S)-3-[(but-3-ynylamino)-oxomethyl]-5-formyl-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R,5S)-3-(but-3-ynylcarbamoyl)-5-formylpiperidine-1-carboxylate Traditional Name: (3R,5S)-3-(but-3-ynylcarbamoyl)-5-formyl-piperidine-1-carboxylic acid benzyl ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCNC(=O)C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)C=O

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4/c1-2-3-9-20-18(23)17-10-16(13-22)11-21(12-17)19(24)25-14-15-7-5-4-6-8-15/h1,4-8,13,16-17H,3,9-12,14H2,(H,20,23)/t16-,17+/m0/s1