(phenylmethyl) (2R,5S)-2-butyl-5-but-3-ynyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5S)-2-butyl-5-but-3-ynyl-pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5S)-2-butyl-5-but-3-ynyl-pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-butyl-5-but-3-ynyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-2-butyl-5-but-3-ynylpyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2-butyl-5-but-3-ynyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H27NO2 MolecularWeight: 313.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CCC#C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO2/c1-3-5-12-18-14-15-19(13-6-4-2)21(18)20(22)23-16-17-10-8-7-9-11-17/h1,7-11,18-19H,4-6,12-16H2,2H3/t18-,19+/m0/s1