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

Systemtic Name: methyl 6-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]-6-oxidanylidene-hexanoate Openeye Name: methyl 6-[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]-6-oxo-hexanoate CAS Name: 6-[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-6-oxohexanoic acid methyl ester IUPAC Name: methyl 6-[2-(4-carbamimidoylphenyl)-1-methylbenzimidazol-5-yl]-6-oxohexanoate Traditional Name: 6-[2-(4-amidinophenyl)-1-methyl-benzimidazol-5-yl]-6-keto-hexanoic acid methyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3/c1-26-18-12-11-16(19(27)5-3-4-6-20(28)29-2)13-17(18)25-22(26)15-9-7-14(8-10-15)21(23)24/h7-13H,3-6H2,1-2H3,(H3,23,24)