(phenylmethyl) (2S)-1-hexanoyl-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-hexanoyl-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-hexanoyl-5-oxo-pyrrolidine-2-carboxylate CAS Name: (2S)-5-oxo-1-(1-oxohexyl)-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-hexanoyl-5-oxopyrrolidine-2-carboxylate Traditional Name: (2S)-1-caproyl-5-keto-pyrrolidine-2-carboxylic acid benzyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(CCC1=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)N1[C@@H](CCC1=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H23NO4/c1-2-3-5-10-16(20)19-15(11-12-17(19)21)18(22)23-13-14-8-6-4-7-9-14/h4,6-9,15H,2-3,5,10-13H2,1H3/t15-/m0/s1