(phenylmethyl) (2S,5S)-2-butyl-5-[4-(phenylcarbonyloxy)butyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,5S)-2-butyl-5-[4-(phenylcarbonyloxy)butyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,5S)-2-(4-benzoyloxybutyl)-5-butyl-pyrrolidine-1-carboxylate CAS Name: (2S,5S)-2-(4-benzoyloxybutyl)-5-butyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,5S)-2-(4-benzoyloxybutyl)-5-butylpyrrolidine-1-carboxylate Traditional Name: (2S,5S)-2-(4-benzoyloxybutyl)-5-butyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CCCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC[C@H]1CC[C@@H](N1C(=O)OCC2=CC=CC=C2)CCCCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H35NO4/c1-2-3-16-24-18-19-25(28(24)27(30)32-21-22-12-6-4-7-13-22)17-10-11-20-31-26(29)23-14-8-5-9-15-23/h4-9,12-15,24-25H,2-3,10-11,16-21H2,1H3/t24-,25-/m0/s1