(phenylmethyl) (2S,5R)-2-butyl-5-[(E)-4-phenylmethoxybut-1-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S,5R)-2-butyl-5-[(E)-4-phenylmethoxybut-1-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5S)-2-[(E)-4-benzyloxybut-1-enyl]-5-butyl-pyrrolidine-1-carboxylate CAS Name: (2S,5R)-2-butyl-5-[(E)-4-phenylmethoxybut-1-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S,5R)-2-butyl-5-[(E)-4-phenylmethoxybut-1-enyl]pyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2-[(E)-4-benzoxybut-1-enyl]-5-butyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H35NO3 MolecularWeight: 421.5717

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)C=CCCOCC3=CC=CC=C3

Isomeric SMILES

CCCC[C@H]1CC[C@@H](N1C(=O)OCC2=CC=CC=C2)/C=C/CCOCC3=CC=CC=C3

InChI

InChI=1S/C27H35NO3/c1-2-3-16-25-18-19-26(17-10-11-20-30-21-23-12-6-4-7-13-23)28(25)27(29)31-22-24-14-8-5-9-15-24/h4-10,12-15,17,25-26H,2-3,11,16,18-22H2,1H3/b17-10+/t25-,26-/m0/s1