5-[1-(diethylamino)hexadecan-2-ylamino]pentanoic acid

Systemtic Name: 5-[1-(diethylamino)hexadecan-2-ylamino]pentanoic acid Openeye Name: 5-[1-(diethylaminomethyl)pentadecylamino]pentanoic acid CAS Name: 5-[1-(diethylamino)hexadecan-2-ylamino]pentanoic acid IUPAC Name: 5-[1-(diethylamino)hexadecan-2-ylamino]pentanoic acid Traditional Name: 5-[1-(diethylaminomethyl)pentadecylamino]valeric acid Formula: C25H52N2O2 MolecularWeight: 412.69258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CN(CC)CC)NCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(CN(CC)CC)NCCCCC(=O)O

InChI

InChI=1S/C25H52N2O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-20-24(23-27(5-2)6-3)26-22-19-18-21-25(28)29/h24,26H,4-23H2,1-3H3,(H,28,29)