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

Systemtic Name: methyl 2-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]-3-cyclohexyloxycarbonyloxy-propanoate Openeye Name: methyl 2-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]-3-(cyclohexoxycarbonyloxy)propanoate CAS Name: 2-[[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]-3-[cyclohexyloxy(oxo)methoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]-3-cyclohexyloxycarbonyloxypropanoate Traditional Name: 2-[[2-(4-amidinophenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]-3-(cyclohexoxycarbonyloxy)propionic acid methyl ester Formula: C36H41N5O6 MolecularWeight: 639.74064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(COC(=O)OC1CCCCC1)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=C(C=C4)C(=N)N)CCCCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C(COC(=O)OC1CCCCC1)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=C(C=C4)C(=N)N)CCCCC5=CC=CC=C5

InChI

InChI=1S/C36H41N5O6/c1-45-35(43)30(23-46-36(44)47-28-13-6-3-7-14-28)40-34(42)27-19-20-31-29(22-27)39-33(26-17-15-25(16-18-26)32(37)38)41(31)21-9-8-12-24-10-4-2-5-11-24/h2,4-5,10-11,15-20,22,28,30H,3,6-9,12-14,21,23H2,1H3,(H3,37,38)(H,40,42)