(phenylmethyl) (2S)-2-but-2-ynoylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-but-2-ynoylpyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-but-2-ynoylpyrrolidine-1-carboxylate CAS Name: (2S)-2-(1-oxobut-2-ynyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-but-2-ynoylpyrrolidine-1-carboxylate Traditional Name: (2S)-2-but-2-ynoylpyrrolidine-1-carboxylic acid benzyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC#CC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H17NO3/c1-2-7-15(18)14-10-6-11-17(14)16(19)20-12-13-8-4-3-5-9-13/h3-5,8-9,14H,6,10-12H2,1H3/t14-/m0/s1