2-[6-(3,4,5-tridodecoxyphenyl)carbonyloxyhexylcarbamoylamino]ethanoic acid

Systemtic Name: 2-[6-(3,4,5-tridodecoxyphenyl)carbonyloxyhexylcarbamoylamino]ethanoic acid Openeye Name: 2-[6-(3,4,5-tridodecoxybenzoyl)oxyhexylcarbamoylamino]acetic acid CAS Name: 2-[[oxo-[6-[oxo-(3,4,5-tridodecoxyphenyl)methoxy]hexylamino]methyl]amino]acetic acid IUPAC Name: 2-[6-(3,4,5-tridodecoxybenzoyl)oxyhexylcarbamoylamino]acetic acid Traditional Name: 2-[6-(3,4,5-trilauryloxybenzoyl)oxyhexylcarbamoylamino]acetic acid Formula: C52H94N2O8 MolecularWeight: 875.31136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)OCCCCCCNC(=O)NCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)OCCCCCCNC(=O)NCC(=O)O

InChI

InChI=1S/C52H94N2O8/c1-4-7-10-13-16-19-22-25-29-34-39-59-47-43-46(51(57)62-42-37-32-28-33-38-53-52(58)54-45-49(55)56)44-48(60-40-35-30-26-23-20-17-14-11-8-5-2)50(47)61-41-36-31-27-24-21-18-15-12-9-6-3/h43-44H,4-42,45H2,1-3H3,(H,55,56)(H2,53,54,58)