2-[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonylcyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonylcyclohexyl]ethanoic acid Openeye Name: 2-[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazole-5-carbonyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[2-(4-amidinobenzyl)-1-methyl-benzimidazole-5-carbonyl]cyclohexyl]acetic acid Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)C3(CCCCC3)CC(=O)O)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)C3(CCCCC3)CC(=O)O)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H28N4O3/c1-29-20-10-9-18(23(32)25(15-22(30)31)11-3-2-4-12-25)14-19(20)28-21(29)13-16-5-7-17(8-6-16)24(26)27/h5-10,14H,2-4,11-13,15H2,1H3,(H3,26,27)(H,30,31)