3-[12-(2-oxidanylidene-1,2-diphenyl-ethoxy)dodecylcarbamoyl]heptadecanoic acid

Systemtic Name: 3-[12-(2-oxidanylidene-1,2-diphenyl-ethoxy)dodecylcarbamoyl]heptadecanoic acid Openeye Name: 3-[12-(2-oxo-1,2-diphenyl-ethoxy)dodecylcarbamoyl]heptadecanoic acid CAS Name: 3-[oxo-[12-(2-oxo-1,2-diphenylethoxy)dodecylamino]methyl]heptadecanoic acid IUPAC Name: 3-[12-(2-oxo-1,2-diphenylethoxy)dodecylcarbamoyl]heptadecanoic acid Traditional Name: 3-(12-desyloxydodecylcarbamoyl)heptadecanoic acid Formula: C44H69NO5 MolecularWeight: 692.02236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CC(=O)O)C(=O)NCCCCCCCCCCCCOC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCC(CC(=O)O)C(=O)NCCCCCCCCCCCCOC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C44H69NO5/c1-2-3-4-5-6-7-8-9-12-15-18-23-34-40(37-41(46)47)44(49)45-35-28-19-16-13-10-11-14-17-20-29-36-50-43(39-32-26-22-27-33-39)42(48)38-30-24-21-25-31-38/h21-22,24-27,30-33,40,43H,2-20,23,28-29,34-37H2,1H3,(H,45,49)(H,46,47)