dodecyl 2-(cyanomethyl)-1-methyl-benzimidazole-5-carboxylate

Systemtic Name: dodecyl 2-(cyanomethyl)-1-methyl-benzimidazole-5-carboxylate Openeye Name: dodecyl 2-(cyanomethyl)-1-methyl-benzimidazole-5-carboxylate CAS Name: 2-(cyanomethyl)-1-methyl-5-benzimidazolecarboxylic acid dodecyl ester IUPAC Name: dodecyl 2-(cyanomethyl)-1-methylbenzimidazole-5-carboxylate Traditional Name: 2-(cyanomethyl)-1-methyl-benzimidazole-5-carboxylic acid lauryl ester Formula: C23H33N3O2 MolecularWeight: 383.52702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)N(C(=N2)CC#N)C

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC2=C(C=C1)N(C(=N2)CC#N)C

InChI

InChI=1S/C23H33N3O2/c1-3-4-5-6-7-8-9-10-11-12-17-28-23(27)19-13-14-21-20(18-19)25-22(15-16-24)26(21)2/h13-14,18H,3-12,15,17H2,1-2H3