2-[3-[2-[2-(2-hexoxyethoxy)ethoxy]ethanoyloxy]octadecanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-[2-[2-(2-hexoxyethoxy)ethoxy]ethanoyloxy]octadecanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[3-[2-[2-(2-hexoxyethoxy)ethoxy]acetyl]oxyoctadecanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3-[2-[2-(2-hexoxyethoxy)ethoxy]-1-oxoethoxy]-1-oxooctadecyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[3-[2-[2-(2-hexoxyethoxy)ethoxy]acetyl]oxyoctadecanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[3-[2-[2-(2-hexoxyethoxy)ethoxy]acetyl]oxyoctadecanoylamino]-3-phenyl-propionic acid Formula: C39H67NO8 MolecularWeight: 677.95118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)OC(=O)COCCOCCOCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)OC(=O)COCCOCCOCCCCCC

InChI

InChI=1S/C39H67NO8/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-25-35(32-37(41)40-36(39(43)44)31-34-23-19-18-20-24-34)48-38(42)33-47-30-29-46-28-27-45-26-22-8-6-4-2/h18-20,23-24,35-36H,3-17,21-22,25-33H2,1-2H3,(H,40,41)(H,43,44)