methyl 2-[2-(4-octadecoxyphenyl)ethyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-[2-(4-octadecoxyphenyl)ethyl]-1H-benzimidazole-4-carboxylate Openeye Name: methyl 2-[2-(4-octadecoxyphenyl)ethyl]-1H-benzimidazole-4-carboxylate CAS Name: 2-[2-(4-octadecoxyphenyl)ethyl]-1H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-octadecoxyphenyl)ethyl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[2-(4-stearyloxyphenyl)ethyl]-1H-benzimidazole-4-carboxylic acid methyl ester Formula: C35H52N2O3 MolecularWeight: 548.79898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC2=NC3=C(C=CC=C3N2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC2=NC3=C(C=CC=C3N2)C(=O)OC

InChI

InChI=1S/C35H52N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-40-30-25-22-29(23-26-30)24-27-33-36-32-21-19-20-31(34(32)37-33)35(38)39-2/h19-23,25-26H,3-18,24,27-28H2,1-2H3,(H,36,37)