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

Systemtic Name: (phenylmethyl) (2R,5R)-2-butyl-5-(4-oxidanylheptyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5R)-2-butyl-5-(4-hydroxyheptyl)pyrrolidine-1-carboxylate CAS Name: (2R,5R)-2-butyl-5-(4-hydroxyheptyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5R)-2-butyl-5-(4-hydroxyheptyl)pyrrolidine-1-carboxylate Traditional Name: (2R,5R)-2-butyl-5-(4-hydroxyheptyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H37NO3 MolecularWeight: 375.54478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CCCC(CCC)O

Isomeric SMILES

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

InChI

InChI=1S/C23H37NO3/c1-3-5-13-20-16-17-21(14-9-15-22(25)10-4-2)24(20)23(26)27-18-19-11-7-6-8-12-19/h6-8,11-12,20-22,25H,3-5,9-10,13-18H2,1-2H3/t20-,21-,22?/m1/s1