methyl 5-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]-5-oxo-pentanoate CAS Name: 5-[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[2-(4-carbamimidoylphenyl)-1-methylbenzimidazol-5-yl]-5-oxopentanoate Traditional Name: 5-[2-(4-amidinophenyl)-1-methyl-benzimidazol-5-yl]-5-keto-valeric acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)CCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)CCCC(=O)OC)N=C1C3=CC=C(C=C3)C(=N)N

InChI

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