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

Systemtic Name: cyclohexyl 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C34H39N5O3 MolecularWeight: 565.70516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=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)OC(=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/C34H39N5O3/c35-32(36)25-14-16-26(17-15-25)33-38-29-23-27(34(41)37-21-20-31(40)42-28-12-5-2-6-13-28)18-19-30(29)39(33)22-8-7-11-24-9-3-1-4-10-24/h1,3-4,9-10,14-19,23,28H,2,5-8,11-13,20-22H2,(H3,35,36)(H,37,41)