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

Systemtic Name: (phenylmethyl) (2R,5S)-2-butyl-5-(4-oxidanylpentyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5S)-2-butyl-5-(4-hydroxypentyl)pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-butyl-5-(4-hydroxypentyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-2-butyl-5-(4-hydroxypentyl)pyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2-butyl-5-(4-hydroxypentyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33NO3/c1-3-4-12-19-14-15-20(13-8-9-17(2)23)22(19)21(24)25-16-18-10-6-5-7-11-18/h5-7,10-11,17,19-20,23H,3-4,8-9,12-16H2,1-2H3/t17?,19-,20+/m1/s1