2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1H-benzimidazol-5-yl]benzoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1H-benzimidazol-5-yl]benzoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1H-benzimidazol-5-yl]benzoic acid CAS Name: 2-[6-[(4-carbamimidoylanilino)-oxomethyl]-1H-benzimidazol-5-yl]benzoic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)carbamoyl]-1H-benzimidazol-5-yl]benzoic acid Traditional Name: 2-[6-[(4-amidinophenyl)carbamoyl]-1H-benzimidazol-5-yl]benzoic acid Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)NC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(C=C2C(=O)NC4=CC=C(C=C4)C(=N)N)NC=N3)C(=O)O

InChI

InChI=1S/C22H17N5O3/c23-20(24)12-5-7-13(8-6-12)27-21(28)17-10-19-18(25-11-26-19)9-16(17)14-3-1-2-4-15(14)22(29)30/h1-11H,(H3,23,24)(H,25,26)(H,27,28)(H,29,30)