(phenylmethyl) (2R,5R)-2-butyl-5-(4-oxidanyl-7-phenylmethoxy-heptyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5R)-2-butyl-5-(4-oxidanyl-7-phenylmethoxy-heptyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5R)-2-(7-benzyloxy-4-hydroxy-heptyl)-5-butyl-pyrrolidine-1-carboxylate CAS Name: (2R,5R)-2-butyl-5-(4-hydroxy-7-phenylmethoxyheptyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5R)-2-butyl-5-(4-hydroxy-7-phenylmethoxyheptyl)pyrrolidine-1-carboxylate Traditional Name: (2R,5R)-2-(7-benzoxy-4-hydroxy-heptyl)-5-butyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C30H43NO4 MolecularWeight: 481.66672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@@H]1CC[C@H](N1C(=O)OCC2=CC=CC=C2)CCCC(CCCOCC3=CC=CC=C3)O

InChI

InChI=1S/C30H43NO4/c1-2-3-16-27-20-21-28(31(27)30(33)35-24-26-14-8-5-9-15-26)17-10-18-29(32)19-11-22-34-23-25-12-6-4-7-13-25/h4-9,12-15,27-29,32H,2-3,10-11,16-24H2,1H3/t27-,28-,29?/m1/s1