1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylpiperidine-3-carboxylic acid Openeye Name: 1-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]piperidine-3-carboxylic acid CAS Name: 1-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]nipecotic acid Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCCC(C3)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C22H23N5O3/c1-26-18-9-8-15(21(28)27-10-2-3-16(12-27)22(29)30)11-17(18)25-20(26)14-6-4-13(5-7-14)19(23)24/h4-9,11,16H,2-3,10,12H2,1H3,(H3,23,24)(H,29,30)