[2-[[3-methyl-2-[(triphenylmethyl)amino]butanoyl]oxymethyl]-4-phenylmethoxy-butyl] octadecanoate

Systemtic Name: [2-[[3-methyl-2-[(triphenylmethyl)amino]butanoyl]oxymethyl]-4-phenylmethoxy-butyl] octadecanoate Openeye Name: [4-benzyloxy-2-[[3-methyl-2-(tritylamino)butanoyl]oxymethyl]butyl] octadecanoate CAS Name: octadecanoic acid [2-[[3-methyl-1-oxo-2-[(triphenylmethyl)amino]butoxy]methyl]-4-phenylmethoxybutyl] ester IUPAC Name: [2-[[3-methyl-2-(tritylamino)butanoyl]oxymethyl]-4-phenylmethoxybutyl] octadecanoate Traditional Name: stearic acid [4-benzoxy-2-[[3-methyl-2-(tritylamino)butanoyl]oxymethyl]butyl] ester Formula: C54H75NO5 MolecularWeight: 818.177

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOCC1=CC=CC=C1)COC(=O)C(C(C)C)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CCOCC1=CC=CC=C1)COC(=O)C(C(C)C)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C54H75NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-39-51(56)59-43-47(40-41-58-42-46-31-22-18-23-32-46)44-60-53(57)52(45(2)3)55-54(48-33-24-19-25-34-48,49-35-26-20-27-36-49)50-37-28-21-29-38-50/h18-29,31-38,45,47,52,55H,4-17,30,39-44H2,1-3H3