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

Systemtic Name: 4-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]benzoic acid Openeye Name: 4-[6-(N'-isopropylcarbamimidoyl)-1H-benzimidazol-2-yl]benzoic acid CAS Name: 4-[6-[amino(propan-2-ylimino)methyl]-1H-benzimidazol-2-yl]benzoic acid IUPAC Name: 4-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]benzoic acid Traditional Name: 4-[6-(N'-isopropylamidino)-1H-benzimidazol-2-yl]benzoic acid Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C(=O)O)N

Isomeric SMILES

CC(C)N=C(C1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C(=O)O)N

InChI

InChI=1S/C18H18N4O2/c1-10(2)20-16(19)13-7-8-14-15(9-13)22-17(21-14)11-3-5-12(6-4-11)18(23)24/h3-10H,1-2H3,(H2,19,20)(H,21,22)(H,23,24)