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

Systemtic Name: cyclohexyl 3-[[1-(4-phenylbutyl)benzimidazol-2-yl]carbonylamino]propanoate dihydrochloride Openeye Name: cyclohexyl 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoate dihydrochloride CAS Name: 3-[[oxo-[1-(4-phenylbutyl)-2-benzimidazolyl]methyl]amino]propanoic acid cyclohexyl ester dihydrochloride IUPAC Name: cyclohexyl 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propanoate dihydrochloride Traditional Name: 3-[[1-(4-phenylbutyl)benzimidazole-2-carbonyl]amino]propionic acid cyclohexyl ester dihydrochloride Formula: C27H35Cl2N3O3 MolecularWeight: 520.4911

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CCNC(=O)C2=NC3=CC=CC=C3N2CCCCC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)CCNC(=O)C2=NC3=CC=CC=C3N2CCCCC4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C27H33N3O3.2ClH/c31-25(33-22-14-5-2-6-15-22)18-19-28-27(32)26-29-23-16-7-8-17-24(23)30(26)20-10-9-13-21-11-3-1-4-12-21;;/h1,3-4,7-8,11-12,16-17,22H,2,5-6,9-10,13-15,18-20H2,(H,28,32);2*1H