8-[4-[(3,4,5-tridodecoxyphenyl)carbonylamino]butanoylamino]octanoic acid

Systemtic Name: 8-[4-[(3,4,5-tridodecoxyphenyl)carbonylamino]butanoylamino]octanoic acid Openeye Name: 8-[4-[(3,4,5-tridodecoxybenzoyl)amino]butanoylamino]octanoic acid CAS Name: 8-[[1-oxo-4-[[oxo-(3,4,5-tridodecoxyphenyl)methyl]amino]butyl]amino]octanoic acid IUPAC Name: 8-[4-[(3,4,5-tridodecoxybenzoyl)amino]butanoylamino]octanoic acid Traditional Name: 8-[4-[(3,4,5-trilauryloxybenzoyl)amino]butanoylamino]caprylic acid Formula: C55H100N2O7 MolecularWeight: 901.3917

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)NCCCC(=O)NCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C(=O)NCCCC(=O)NCCCCCCCC(=O)O

InChI

InChI=1S/C55H100N2O7/c1-4-7-10-13-16-19-22-25-31-36-44-62-50-47-49(55(61)57-43-39-40-52(58)56-42-35-30-28-29-34-41-53(59)60)48-51(63-45-37-32-26-23-20-17-14-11-8-5-2)54(50)64-46-38-33-27-24-21-18-15-12-9-6-3/h47-48H,4-46H2,1-3H3,(H,56,58)(H,57,61)(H,59,60)