4-[1-butyl-5-(N'-propan-2-ylcarbamimidoyl)benzimidazol-2-yl]benzoic acid

Systemtic Name: 4-[1-butyl-5-(N'-propan-2-ylcarbamimidoyl)benzimidazol-2-yl]benzoic acid Openeye Name: 4-[1-butyl-5-(N'-isopropylcarbamimidoyl)benzimidazol-2-yl]benzoic acid CAS Name: 4-[5-[amino(propan-2-ylimino)methyl]-1-butyl-2-benzimidazolyl]benzoic acid IUPAC Name: 4-[1-butyl-5-(N'-propan-2-ylcarbamimidoyl)benzimidazol-2-yl]benzoic acid Traditional Name: 4-[1-butyl-5-(N'-isopropylamidino)benzimidazol-2-yl]benzoic acid Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-4-5-12-26-19-11-10-17(20(23)24-14(2)3)13-18(19)25-21(26)15-6-8-16(9-7-15)22(27)28/h6-11,13-14H,4-5,12H2,1-3H3,(H2,23,24)(H,27,28)