(phenylmethyl) (2R,5S)-2-heptyl-5-(3-oxidanylbutyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5S)-2-heptyl-5-(3-oxidanylbutyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5S)-2-heptyl-5-(3-hydroxybutyl)pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-heptyl-5-(3-hydroxybutyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-2-heptyl-5-(3-hydroxybutyl)pyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2-heptyl-5-(3-hydroxybutyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H37NO3 MolecularWeight: 375.54478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CCC(C)O

Isomeric SMILES

CCCCCCC[C@@H]1CC[C@H](N1C(=O)OCC2=CC=CC=C2)CCC(C)O

InChI

InChI=1S/C23H37NO3/c1-3-4-5-6-10-13-21-16-17-22(15-14-19(2)25)24(21)23(26)27-18-20-11-8-7-9-12-20/h7-9,11-12,19,21-22,25H,3-6,10,13-18H2,1-2H3/t19?,21-,22-/m1/s1