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2-[2-(octadecanoylamino)ethyl]docosanoic acid

2-[2-(octadecanoylamino)ethyl]docosanoic acid

Systemtic Name:2-[2-(octadecanoylamino)ethyl]docosanoic acid
Openeye Name:2-[2-(octadecanoylamino)ethyl]docosanoic acid
CAS Name:2-[2-(1-oxooctadecylamino)ethyl]docosanoic acid
IUPAC Name:2-[2-(octadecanoylamino)ethyl]docosanoic acid
Traditional Name:2-(2-stearamidoethyl)behenic acid
Formula: C42H83NO3
MolecularWeight: 650.11332
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)O


InChI

InChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-40(42(45)46)38-39-43-41(44)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h40H,3-39H2,1-2H3,(H,43,44)(H,45,46)


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