5-[[3-methyl-2-[(triphenylmethyl)amino]butanoyl]oxymethyl]-6-octadecanoyloxy-hexanoic acid

Systemtic Name: 5-[[3-methyl-2-[(triphenylmethyl)amino]butanoyl]oxymethyl]-6-octadecanoyloxy-hexanoic acid Openeye Name: 5-[[3-methyl-2-(tritylamino)butanoyl]oxymethyl]-6-octadecanoyloxy-hexanoic acid CAS Name: 5-[[3-methyl-1-oxo-2-[(triphenylmethyl)amino]butoxy]methyl]-6-(1-oxooctadecoxy)hexanoic acid IUPAC Name: 5-[[3-methyl-2-(tritylamino)butanoyl]oxymethyl]-6-octadecanoyloxyhexanoic acid Traditional Name: 5-[[3-methyl-2-(tritylamino)butanoyl]oxymethyl]-6-stearoyloxy-hexanoic acid Formula: C49H71NO6 MolecularWeight: 770.09114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCCC(=O)O)COC(=O)C(C(C)C)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCCC(=O)O)COC(=O)C(C(C)C)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C49H71NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-37-46(53)55-38-41(29-28-36-45(51)52)39-56-48(54)47(40(2)3)50-49(42-30-21-18-22-31-42,43-32-23-19-24-33-43)44-34-25-20-26-35-44/h18-26,30-35,40-41,47,50H,4-17,27-29,36-39H2,1-3H3,(H,51,52)