(phenylmethyl) (2R,5R)-2-butyl-5-(4-oxidanylbutyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5R)-2-butyl-5-(4-oxidanylbutyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5R)-2-butyl-5-(4-hydroxybutyl)pyrrolidine-1-carboxylate CAS Name: (2R,5R)-2-butyl-5-(4-hydroxybutyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5R)-2-butyl-5-(4-hydroxybutyl)pyrrolidine-1-carboxylate Traditional Name: (2R,5R)-2-butyl-5-(4-hydroxybutyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H31NO3 MolecularWeight: 333.46504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CCCCO

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO3/c1-2-3-11-18-13-14-19(12-7-8-15-22)21(18)20(23)24-16-17-9-5-4-6-10-17/h4-6,9-10,18-19,22H,2-3,7-8,11-16H2,1H3/t18-,19-/m1/s1