methyl 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate

Systemtic Name: methyl 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate Openeye Name: methyl 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholinomethyl)benzimidazole-5-carboxylate CAS Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(4-morpholinylmethyl)-5-benzimidazolecarboxylic acid methyl ester IUPAC Name: methyl 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate Traditional Name: 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholinomethyl)benzimidazole-5-carboxylic acid methyl ester Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(N2CC3=NC4=CC=CC=C4N3)CN5CCOCC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(N2CC3=NC4=CC=CC=C4N3)CN5CCOCC5

InChI

InChI=1S/C22H23N5O3/c1-29-22(28)15-6-7-18-19(12-15)27(21(25-18)14-26-8-10-30-11-9-26)13-20-23-16-4-2-3-5-17(16)24-20/h2-7,12H,8-11,13-14H2,1H3,(H,23,24)