(phenylmethyl) (2S)-1-[(2R)-2-(2-methoxy-2-oxidanylidene-ethyl)hexanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2R)-2-(2-methoxy-2-oxidanylidene-ethyl)hexanoyl]pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2R)-2-(2-methoxy-2-oxo-ethyl)hexanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-2-(2-methoxy-2-oxoethyl)-1-oxohexyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2R)-2-(2-methoxy-2-oxoethyl)hexanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-(2-keto-2-methoxy-ethyl)hexanoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(=O)OC)C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC[C@H](CC(=O)OC)C(=O)N1CCC[C@H]1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H29NO5/c1-3-4-11-17(14-19(23)26-2)20(24)22-13-8-12-18(22)21(25)27-15-16-9-6-5-7-10-16/h5-7,9-10,17-18H,3-4,8,11-15H2,1-2H3/t17-,18+/m1/s1