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

Systemtic Name: (phenylmethyl) (2R,5S)-2-heptyl-5-(3-oxidanylpropyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5S)-2-heptyl-5-(3-hydroxypropyl)pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-heptyl-5-(3-hydroxypropyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-2-heptyl-5-(3-hydroxypropyl)pyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2-heptyl-5-(3-hydroxypropyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H35NO3 MolecularWeight: 361.5182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CCCO

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO3/c1-2-3-4-5-9-13-20-15-16-21(14-10-17-24)23(20)22(25)26-18-19-11-7-6-8-12-19/h6-8,11-12,20-21,24H,2-5,9-10,13-18H2,1H3/t20-,21-/m1/s1