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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]ethanoyl-methyl-carbamic acid hydrochloride Openeye Name: [2-(N-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)acetyl]-methyl-carbamic acid hydrochloride CAS Name: [2-(N-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)-1-oxoethyl]-methylcarbamic acid hydrochloride IUPAC Name: [2-(N-[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)acetyl]-methylcarbamic acid hydrochloride Traditional Name: [2-(N-[2-(4-amidinobenzyl)-1-methyl-benzimidazole-5-carbonyl]anilino)acetyl]-methyl-carbamic acid hydrochloride Formula: C27H27ClN6O4 MolecularWeight: 534.99408

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H26N6O4.ClH/c1-31-22-13-12-19(15-21(22)30-23(31)14-17-8-10-18(11-9-17)25(28)29)26(35)33(20-6-4-3-5-7-20)16-24(34)32(2)27(36)37;/h3-13,15H,14,16H2,1-2H3,(H3,28,29)(H,36,37);1H