2-[[2-[[(4-carbamimidoyl-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoic acid

Systemtic Name: 2-[[2-[[(4-carbamimidoyl-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoyl-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetic acid CAS Name: 2-[[[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]acetic acid Traditional Name: 2-[[2-[(4-amidino-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]acetic acid Formula: C25H25N7O4 MolecularWeight: 487.5105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)O)C3=CC=CC=N3)N=C1CNC4=C(C=C(C=C4)C(=N)N)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CC(=O)O)C3=CC=CC=N3)N=C1CNC4=C(C=C(C=C4)C(=N)N)OC

InChI

InChI=1S/C25H25N7O4/c1-31-19-9-7-16(25(35)32(14-23(33)34)21-5-3-4-10-28-21)11-18(19)30-22(31)13-29-17-8-6-15(24(26)27)12-20(17)36-2/h3-12,29H,13-14H2,1-2H3,(H3,26,27)(H,33,34)