4-phenylbutyl 3-(3H-benzimidazol-5-ylcarbonylamino)propanoate dihydrochloride

Systemtic Name: 4-phenylbutyl 3-(3H-benzimidazol-5-ylcarbonylamino)propanoate dihydrochloride Openeye Name: 4-phenylbutyl 3-(3H-benzimidazole-5-carbonylamino)propanoate dihydrochloride CAS Name: 3-[[3H-benzimidazol-5-yl(oxo)methyl]amino]propanoic acid 4-phenylbutyl ester dihydrochloride IUPAC Name: 4-phenylbutyl 3-(3H-benzimidazole-5-carbonylamino)propanoate dihydrochloride Traditional Name: 3-(3H-benzimidazole-5-carbonylamino)propionic acid 4-phenylbutyl ester dihydrochloride Formula: C21H25Cl2N3O3 MolecularWeight: 438.3475

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCOC(=O)CCNC(=O)C2=CC3=C(C=C2)N=CN3.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCOC(=O)CCNC(=O)C2=CC3=C(C=C2)N=CN3.Cl.Cl

InChI

InChI=1S/C21H23N3O3.2ClH/c25-20(27-13-5-4-8-16-6-2-1-3-7-16)11-12-22-21(26)17-9-10-18-19(14-17)24-15-23-18;;/h1-3,6-7,9-10,14-15H,4-5,8,11-13H2,(H,22,26)(H,23,24);2*1H