ethyl 2-(1,3-benzodioxol-5-yl)-1-tert-butyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-yl)-1-tert-butyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-yl)-1-tert-butyl-benzimidazole-5-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-1-tert-butyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-yl)-1-tert-butylbenzimidazole-5-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-tert-butyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC4=C(C=C3)OCO4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC4=C(C=C3)OCO4)C(C)(C)C

InChI

InChI=1S/C21H22N2O4/c1-5-25-20(24)14-6-8-16-15(10-14)22-19(23(16)21(2,3)4)13-7-9-17-18(11-13)27-12-26-17/h6-11H,5,12H2,1-4H3