4-[6-(N'-cyclopropylcarbamimidoyl)-1H-benzimidazol-2-yl]benzoic acid

Systemtic Name: 4-[6-(N'-cyclopropylcarbamimidoyl)-1H-benzimidazol-2-yl]benzoic acid Openeye Name: 4-[6-(N'-cyclopropylcarbamimidoyl)-1H-benzimidazol-2-yl]benzoic acid CAS Name: 4-[6-[amino(cyclopropylimino)methyl]-1H-benzimidazol-2-yl]benzoic acid IUPAC Name: 4-[6-(N'-cyclopropylcarbamimidoyl)-1H-benzimidazol-2-yl]benzoic acid Traditional Name: 4-[6-(N'-cyclopropylamidino)-1H-benzimidazol-2-yl]benzoic acid Formula: C18H16N4O2 MolecularWeight: 320.34524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N=C(C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

C1CC1N=C(C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C18H16N4O2/c19-16(20-13-6-7-13)12-5-8-14-15(9-12)22-17(21-14)10-1-3-11(4-2-10)18(23)24/h1-5,8-9,13H,6-7H2,(H2,19,20)(H,21,22)(H,23,24)