methyl 2-(1-butyl-5-carbamimidoyl-benzimidazol-2-yl)benzoate

Systemtic Name: methyl 2-(1-butyl-5-carbamimidoyl-benzimidazol-2-yl)benzoate Openeye Name: methyl 2-(1-butyl-5-carbamimidoyl-benzimidazol-2-yl)benzoate CAS Name: 2-(1-butyl-5-carbamimidoyl-2-benzimidazolyl)benzoic acid methyl ester IUPAC Name: methyl 2-(1-butyl-5-carbamimidoylbenzimidazol-2-yl)benzoate Traditional Name: 2-(5-amidino-1-butyl-benzimidazol-2-yl)benzoic acid methyl ester Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=N)N)N=C1C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(=N)N)N=C1C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H22N4O2/c1-3-4-11-24-17-10-9-13(18(21)22)12-16(17)23-19(24)14-7-5-6-8-15(14)20(25)26-2/h5-10,12H,3-4,11H2,1-2H3,(H3,21,22)