[2-tert-butyl-4-[ethanoyl(pyridin-2-ylmethyl)carbamoyl]phenyl] N-octadecylcarbamate

Systemtic Name: [2-tert-butyl-4-[ethanoyl(pyridin-2-ylmethyl)carbamoyl]phenyl] N-octadecylcarbamate Openeye Name: [4-[acetyl(2-pyridylmethyl)carbamoyl]-2-tert-butyl-phenyl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [4-[[acetyl(2-pyridinylmethyl)amino]-oxomethyl]-2-tert-butylphenyl] ester IUPAC Name: [4-[acetyl(pyridin-2-ylmethyl)carbamoyl]-2-tert-butylphenyl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [4-[acetyl(2-pyridylmethyl)carbamoyl]-2-tert-butyl-phenyl] ester Formula: C38H59N3O4 MolecularWeight: 621.89276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=N2)C(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=N2)C(=O)C)C(C)(C)C

InChI

InChI=1S/C38H59N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-28-40-37(44)45-35-26-25-32(29-34(35)38(3,4)5)36(43)41(31(2)42)30-33-24-21-23-27-39-33/h21,23-27,29H,6-20,22,28,30H2,1-5H3,(H,40,44)