[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxidanylidene-tetradecan-3-yl] dodecanoate

Systemtic Name: [1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxidanylidene-tetradecan-3-yl] dodecanoate Openeye Name: 1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-ethyl]dodecyl dodecanoate CAS Name: dodecanoic acid [1-[2-(hydroxymethyl)-1-pyrrolidinyl]-1-oxotetradecan-3-yl] ester IUPAC Name: [1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxotetradecan-3-yl] dodecanoate Traditional Name: lauric acid 1-[2-keto-2-(2-methylolpyrrolidino)ethyl]dodecyl ester Formula: C31H59NO4 MolecularWeight: 509.80446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(=O)N1CCCC1CO)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CC(=O)N1CCCC1CO)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C31H59NO4/c1-3-5-7-9-11-13-15-17-19-23-29(26-30(34)32-25-21-22-28(32)27-33)36-31(35)24-20-18-16-14-12-10-8-6-4-2/h28-29,33H,3-27H2,1-2H3