2-[[1-(4-azanylbutyl)piperidin-4-yl]methyl-(2-tetradecanoyloxyethyl)amino]ethyl tetradecanoate

Systemtic Name: 2-[[1-(4-azanylbutyl)piperidin-4-yl]methyl-(2-tetradecanoyloxyethyl)amino]ethyl tetradecanoate Openeye Name: 2-[[1-(4-aminobutyl)-4-piperidyl]methyl-(2-tetradecanoyloxyethyl)amino]ethyl tetradecanoate CAS Name: tetradecanoic acid 2-[[1-(4-aminobutyl)-4-piperidinyl]methyl-[2-(1-oxotetradecoxy)ethyl]amino]ethyl ester IUPAC Name: 2-[[1-(4-aminobutyl)piperidin-4-yl]methyl-(2-tetradecanoyloxyethyl)amino]ethyl tetradecanoate Traditional Name: myristic acid 2-[[1-(4-aminobutyl)-4-piperidyl]methyl-(2-tetradecanoyloxyethyl)amino]ethyl ester Formula: C42H83N3O4 MolecularWeight: 694.12612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCC)CC1CCN(CC1)CCCCN

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCC)CC1CCN(CC1)CCCCN

InChI

InChI=1S/C42H83N3O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-41(46)48-37-35-45(39-40-29-33-44(34-30-40)32-26-25-31-43)36-38-49-42(47)28-24-22-20-18-16-14-12-10-8-6-4-2/h40H,3-39,43H2,1-2H3