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

Systemtic Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]butanoic acid hydrochloride Openeye Name: 4-(N-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butanoic acid hydrochloride CAS Name: 4-(N-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)butanoic acid hydrochloride IUPAC Name: 4-(N-[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)butanoic acid hydrochloride Traditional Name: 4-(N-[2-(4-amidinobenzyl)-1-methyl-benzimidazole-5-carbonyl]anilino)butyric acid hydrochloride Formula: C27H28ClN5O3 MolecularWeight: 505.99592

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H27N5O3.ClH/c1-31-23-14-13-20(27(35)32(15-5-8-25(33)34)21-6-3-2-4-7-21)17-22(23)30-24(31)16-18-9-11-19(12-10-18)26(28)29;/h2-4,6-7,9-14,17H,5,8,15-16H2,1H3,(H3,28,29)(H,33,34);1H