methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(3-phenylpropoxy)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(3-phenylpropoxy)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(3-phenylpropoxy)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-6-(3-phenylpropoxy)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(3-phenylpropoxy)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-6-(3-phenylpropoxy)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C(=C2)OCCCC3=CC=CC=C3)C(=O)NCCC(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C(=C2)OCCCC3=CC=CC=C3)C(=O)NCCC(=O)OC)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H31N5O4/c1-34-24-18-25(38-16-6-9-19-7-4-3-5-8-19)22(29(36)32-15-14-26(35)37-2)17-23(24)33-28(34)21-12-10-20(11-13-21)27(30)31/h3-5,7-8,10-13,17-18H,6,9,14-16H2,1-2H3,(H3,30,31)(H,32,36)