(phenylmethyl) (2S,4S)-2-(butylcarbamoyl)-4-fluoranyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,4S)-2-(butylcarbamoyl)-4-fluoranyl-pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,4S)-2-(butylcarbamoyl)-4-fluoro-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[butylamino(oxo)methyl]-4-fluoro-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,4S)-2-(butylcarbamoyl)-4-fluoropyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-(butylcarbamoyl)-4-fluoro-pyrrolidine-1-carboxylic acid benzyl ester Formula: C17H23FN2O3 MolecularWeight: 322.374523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CC(CN1C(=O)OCC2=CC=CC=C2)F

Isomeric SMILES

CCCCNC(=O)[C@@H]1C[C@@H](CN1C(=O)OCC2=CC=CC=C2)F

InChI

InChI=1S/C17H23FN2O3/c1-2-3-9-19-16(21)15-10-14(18)11-20(15)17(22)23-12-13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12H2,1H3,(H,19,21)/t14-,15-/m0/s1