2-[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]ethanoic acid Openeye Name: 2-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]acetic acid CAS Name: 2-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-5-phenyl-3-pyrazolyl]acetic acid IUPAC Name: 2-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-5-phenylpyrazol-3-yl]acetic acid Traditional Name: 2-[1-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]acetic acid Formula: C27H25N7O2 MolecularWeight: 479.5331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N3C(=CC(=N3)CC(=O)O)C4=CC=CC=C4)N=C1CNC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N3C(=CC(=N3)CC(=O)O)C4=CC=CC=C4)N=C1CNC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C27H25N7O2/c1-33-23-12-11-21(34-24(17-5-3-2-4-6-17)13-20(32-34)14-26(35)36)15-22(23)31-25(33)16-30-19-9-7-18(8-10-19)27(28)29/h2-13,15,30H,14,16H2,1H3,(H3,28,29)(H,35,36)