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

Systemtic Name: cyclohexylmethyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: cyclohexylmethyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propionic acid cyclohexylmethyl ester Formula: C35H41N5O3 MolecularWeight: 579.73174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)CCNC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=C(C=C4)C(=N)N)CCCCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)COC(=O)CCNC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=CC=C(C=C4)C(=N)N)CCCCC5=CC=CC=C5

InChI

InChI=1S/C35H41N5O3/c36-33(37)27-14-16-28(17-15-27)34-39-30-23-29(35(42)38-21-20-32(41)43-24-26-12-5-2-6-13-26)18-19-31(30)40(34)22-8-7-11-25-9-3-1-4-10-25/h1,3-4,9-10,14-19,23,26H,2,5-8,11-13,20-22,24H2,(H3,36,37)(H,38,42)