6-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]-6-oxo-hexanoic acid CAS Name: 6-[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-6-oxohexanoic acid IUPAC Name: 6-[2-(4-carbamimidoylphenyl)-1-methylbenzimidazol-5-yl]-6-oxohexanoic acid Traditional Name: 6-[2-(4-amidinophenyl)-1-methyl-benzimidazol-5-yl]-6-keto-hexanoic acid Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)CCCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)CCCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22N4O3/c1-25-17-11-10-15(18(26)4-2-3-5-19(27)28)12-16(17)24-21(25)14-8-6-13(7-9-14)20(22)23/h6-12H,2-5H2,1H3,(H3,22,23)(H,27,28)