(phenylmethyl) (2R)-2-[(4R)-4-oxidanyltetradec-6-ynyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-2-[(4R)-4-oxidanyltetradec-6-ynyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R)-2-[(4R)-4-hydroxytetradec-6-ynyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[(4R)-4-hydroxytetradec-6-ynyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[(4R)-4-hydroxytetradec-6-ynyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[(4R)-4-hydroxytetradec-6-ynyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H39NO3 MolecularWeight: 413.59276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC#CCC(CCCC1CCCN1C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCC#CC[C@@H](CCC[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C26H39NO3/c1-2-3-4-5-6-7-8-12-19-25(28)20-13-17-24-18-14-21-27(24)26(29)30-22-23-15-10-9-11-16-23/h9-11,15-16,24-25,28H,2-7,13-14,17-22H2,1H3/t24-,25+/m1/s1