3-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholinomethyl)benzimidazole-5-carboxylic acid CAS Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(4-morpholinylmethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid Traditional Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholinomethyl)benzimidazole-5-carboxylic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC3=C(N2CC4=NC5=CC=CC=C5N4)C=C(C=C3)C(=O)O

Isomeric SMILES

C1COCCN1CC2=NC3=C(N2CC4=NC5=CC=CC=C5N4)C=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21N5O3/c27-21(28)14-5-6-17-18(11-14)26(20(24-17)13-25-7-9-29-10-8-25)12-19-22-15-3-1-2-4-16(15)23-19/h1-6,11H,7-10,12-13H2,(H,22,23)(H,27,28)