4,7-bis(cyclopropylmethyl)benzimidazole-2,4-dicarboxylic acid

Systemtic Name: 4,7-bis(cyclopropylmethyl)benzimidazole-2,4-dicarboxylic acid Openeye Name: 4,7-bis(cyclopropylmethyl)benzimidazole-2,4-dicarboxylic acid CAS Name: 4,7-bis(cyclopropylmethyl)benzimidazole-2,4-dicarboxylic acid IUPAC Name: 4,7-bis(cyclopropylmethyl)benzimidazole-2,4-dicarboxylic acid Traditional Name: 4,7-bis(cyclopropylmethyl)benzimidazole-2,4-dicarboxylic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC2=C3C(=NC(=N3)C(=O)O)C(C=C2)(CC4CC4)C(=O)O

Isomeric SMILES

C1CC1CC2=C3C(=NC(=N3)C(=O)O)C(C=C2)(CC4CC4)C(=O)O

InChI

InChI=1S/C17H18N2O4/c20-15(21)14-18-12-11(7-9-1-2-9)5-6-17(16(22)23,13(12)19-14)8-10-3-4-10/h5-6,9-10H,1-4,7-8H2,(H,20,21)(H,22,23)