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

Systemtic Name: 4-[6-(N'-cyclohexylcarbamimidoyl)-1H-benzimidazol-2-yl]benzoic acid Openeye Name: 4-[6-(N'-cyclohexylcarbamimidoyl)-1H-benzimidazol-2-yl]benzoic acid CAS Name: 4-[6-[amino(cyclohexylimino)methyl]-1H-benzimidazol-2-yl]benzoic acid IUPAC Name: 4-[6-(N'-cyclohexylcarbamimidoyl)-1H-benzimidazol-2-yl]benzoic acid Traditional Name: 4-[6-(N'-cyclohexylamidino)-1H-benzimidazol-2-yl]benzoic acid Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N=C(C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

C1CCC(CC1)N=C(C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C21H22N4O2/c22-19(23-16-4-2-1-3-5-16)15-10-11-17-18(12-15)25-20(24-17)13-6-8-14(9-7-13)21(26)27/h6-12,16H,1-5H2,(H2,22,23)(H,24,25)(H,26,27)