ethyl 2-[2-(6-ethoxycarbonyl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(6-ethoxycarbonyl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(6-ethoxycarbonyl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[2-(6-ethoxycarbonyl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(6-ethoxycarbonyl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[2-(6-carbethoxy-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)CCC3=NC4=C(N3)C=C(C=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2)CCC3=NC4=C(N3)C=C(C=C4)C(=O)OCC

InChI

InChI=1S/C22H22N4O4/c1-3-29-21(27)13-5-7-15-17(11-13)25-19(23-15)9-10-20-24-16-8-6-14(12-18(16)26-20)22(28)30-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,23,25)(H,24,26)