(phenylmethyl) (2R,5S)-2-heptyl-5-prop-2-enyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5S)-2-heptyl-5-prop-2-enyl-pyrrolidine-1-carboxylate Openeye Name: benzyl (2S,5R)-2-allyl-5-heptyl-pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-heptyl-5-prop-2-enyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-2-heptyl-5-prop-2-enylpyrrolidine-1-carboxylate Traditional Name: (2S,5R)-2-allyl-5-heptyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33NO2/c1-3-5-6-7-11-15-21-17-16-20(12-4-2)23(21)22(24)25-18-19-13-9-8-10-14-19/h4,8-10,13-14,20-21H,2-3,5-7,11-12,15-18H2,1H3/t20-,21-/m1/s1