(phenylmethyl) 2-[3-[2-(2-decoxyethoxy)ethanoyloxy]octadecanoylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[3-[2-(2-decoxyethoxy)ethanoyloxy]octadecanoylamino]-3-phenyl-propanoate Openeye Name: benzyl 2-[3-[2-(2-decoxyethoxy)acetyl]oxyoctadecanoylamino]-3-phenyl-propanoate CAS Name: 2-[[3-[2-(2-decoxyethoxy)-1-oxoethoxy]-1-oxooctadecyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-[2-(2-decoxyethoxy)acetyl]oxyoctadecanoylamino]-3-phenylpropanoate Traditional Name: 2-[3-[2-(2-decoxyethoxy)acetyl]oxyoctadecanoylamino]-3-phenyl-propionic acid benzyl ester Formula: C48H77NO7 MolecularWeight: 780.12748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)OC(=O)COCCOCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)OC(=O)COCCOCCCCCCCCCC

InChI

InChI=1S/C48H77NO7/c1-3-5-7-9-11-13-14-15-16-17-18-20-28-34-44(56-47(51)41-54-37-36-53-35-29-21-19-12-10-8-6-4-2)39-46(50)49-45(38-42-30-24-22-25-31-42)48(52)55-40-43-32-26-23-27-33-43/h22-27,30-33,44-45H,3-21,28-29,34-41H2,1-2H3,(H,49,50)