2-[2-(4-octadecoxyphenyl)ethyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[2-(4-octadecoxyphenyl)ethyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(4-octadecoxyphenyl)ethyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[2-(4-octadecoxyphenyl)ethyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[2-(4-octadecoxyphenyl)ethyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[2-(4-stearyloxyphenyl)ethyl]-3H-benzimidazole-5-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(N2)C=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CCC2=NC3=C(N2)C=C(C=C3)C(=O)O

InChI

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