[4-[2-(tert-butylamino)ethanoyl]-2-docosanoyloxy-phenyl] 4-methylbenzoate

Systemtic Name: [4-[2-(tert-butylamino)ethanoyl]-2-docosanoyloxy-phenyl] 4-methylbenzoate Openeye Name: [4-[2-(tert-butylamino)acetyl]-2-docosanoyloxy-phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-[2-(tert-butylamino)-1-oxoethyl]-2-(1-oxodocosoxy)phenyl] ester IUPAC Name: [4-[2-(tert-butylamino)acetyl]-2-docosanoyloxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-[2-(tert-butylamino)acetyl]-2-docosanoyloxy-phenyl] ester Formula: C42H65NO5 MolecularWeight: 663.9692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=C(C=CC(=C1)C(=O)CNC(C)(C)C)OC(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=C(C=CC(=C1)C(=O)CNC(C)(C)C)OC(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C42H65NO5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-40(45)47-39-32-36(37(44)33-43-42(3,4)5)30-31-38(39)48-41(46)35-28-26-34(2)27-29-35/h26-32,43H,6-25,33H2,1-5H3