ethyl 3-[1-butyl-5-(N'-propan-2-ylcarbamimidoyl)benzimidazol-2-yl]benzoate

Systemtic Name: ethyl 3-[1-butyl-5-(N'-propan-2-ylcarbamimidoyl)benzimidazol-2-yl]benzoate Openeye Name: ethyl 3-[1-butyl-5-(N'-isopropylcarbamimidoyl)benzimidazol-2-yl]benzoate CAS Name: 3-[5-[amino(propan-2-ylimino)methyl]-1-butyl-2-benzimidazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[1-butyl-5-(N'-propan-2-ylcarbamimidoyl)benzimidazol-2-yl]benzoate Traditional Name: 3-[1-butyl-5-(N'-isopropylamidino)benzimidazol-2-yl]benzoic acid ethyl ester Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=NC(C)C)N)N=C1C3=CC(=CC=C3)C(=O)OCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(=NC(C)C)N)N=C1C3=CC(=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H30N4O2/c1-5-7-13-28-21-12-11-17(22(25)26-16(3)4)15-20(21)27-23(28)18-9-8-10-19(14-18)24(29)30-6-2/h8-12,14-16H,5-7,13H2,1-4H3,(H2,25,26)