methyl 4-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]butanoate CAS Name: 4-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]butanoate Traditional Name: 4-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]butyric acid methyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-26-17-10-9-15(21(28)24-11-3-4-18(27)29-2)12-16(17)25-20(26)14-7-5-13(6-8-14)19(22)23/h5-10,12H,3-4,11H2,1-2H3,(H3,22,23)(H,24,28)