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

Systemtic Name: (phenylmethyl) (2S)-1-(2-ethylhexanoyl)-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-(2-ethylhexanoyl)-5-oxo-pyrrolidine-2-carboxylate CAS Name: (2S)-1-(2-ethyl-1-oxohexyl)-5-oxo-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-(2-ethylhexanoyl)-5-oxopyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-ethylhexanoyl)-5-keto-pyrrolidine-2-carboxylic acid benzyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4/c1-3-5-11-16(4-2)19(23)21-17(12-13-18(21)22)20(24)25-14-15-9-7-6-8-10-15/h6-10,16-17H,3-5,11-14H2,1-2H3/t16?,17-/m0/s1