2-[2-(4-octadecoxyphenyl)ethyl]-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 2-[2-(4-octadecoxyphenyl)ethyl]-1H-benzimidazole-4-carboxylic acid Openeye Name: 2-[2-(4-octadecoxyphenyl)ethyl]-1H-benzimidazole-4-carboxylic acid CAS Name: 2-[2-(4-octadecoxyphenyl)ethyl]-1H-benzimidazole-4-carboxylic acid IUPAC Name: 2-[2-(4-octadecoxyphenyl)ethyl]-1H-benzimidazole-4-carboxylic acid Traditional Name: 2-[2-(4-stearyloxyphenyl)ethyl]-1H-benzimidazole-4-carboxylic acid Formula: C34H50N2O3 MolecularWeight: 534.7724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27-39-29-24-21-28(22-25-29)23-26-32-35-31-20-18-19-30(34(37)38)33(31)36-32/h18-22,24-25H,2-17,23,26-27H2,1H3,(H,35,36)(H,37,38)