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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(phenylcarbonyl)amino]ethanoic acid Openeye Name: 2-[benzoyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]amino]acetic acid CAS Name: 2-[benzoyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]amino]acetic acid IUPAC Name: 2-[benzoyl-[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]amino]acetic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-benzoyl-amino]acetic acid Formula: C25H23N5O3 MolecularWeight: 441.48182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)O)C(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)O)C(=O)C3=CC=CC=C3)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H23N5O3/c1-29-21-12-11-19(30(15-23(31)32)25(33)18-5-3-2-4-6-18)14-20(21)28-22(29)13-16-7-9-17(10-8-16)24(26)27/h2-12,14H,13,15H2,1H3,(H3,26,27)(H,31,32)