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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoic acid hydrochloride Openeye Name: 2-(N-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetic acid hydrochloride CAS Name: 2-(N-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)acetic acid hydrochloride IUPAC Name: 2-(N-[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)acetic acid hydrochloride Traditional Name: 2-(N-[2-(4-amidinobenzyl)-1-methyl-benzimidazole-5-carbonyl]anilino)acetic acid hydrochloride Formula: C25H24ClN5O3 MolecularWeight: 477.94276

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=C3)N=C1CC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O3.ClH/c1-29-21-12-11-18(25(33)30(15-23(31)32)19-5-3-2-4-6-19)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);1H