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

Systemtic Name: ethyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]butanoate hydrochloride Openeye Name: ethyl 4-(N-[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)butanoate hydrochloride CAS Name: 4-(N-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)butanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-(N-[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)butanoate hydrochloride Traditional Name: 4-(N-[2-(4-amidinobenzyl)-1-methyl-benzimidazole-5-carbonyl]anilino)butyric acid ethyl ester hydrochloride Formula: C29H32ClN5O3 MolecularWeight: 534.04908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)CCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C29H31N5O3.ClH/c1-3-37-27(35)10-7-17-34(23-8-5-4-6-9-23)29(36)22-15-16-25-24(19-22)32-26(33(25)2)18-20-11-13-21(14-12-20)28(30)31;/h4-6,8-9,11-16,19H,3,7,10,17-18H2,1-2H3,(H3,30,31);1H