[(E)-3-phenylprop-2-enyl] 3-[(1-methylbenzimidazol-2-yl)carbonylamino]propanoate dihydrochloride

Systemtic Name: [(E)-3-phenylprop-2-enyl] 3-[(1-methylbenzimidazol-2-yl)carbonylamino]propanoate dihydrochloride Openeye Name: [(E)-cinnamyl] 3-[(1-methylbenzimidazole-2-carbonyl)amino]propanoate dihydrochloride CAS Name: 3-[[(1-methyl-2-benzimidazolyl)-oxomethyl]amino]propanoic acid [(E)-3-phenylprop-2-enyl] ester dihydrochloride IUPAC Name: [(E)-3-phenylprop-2-enyl] 3-[(1-methylbenzimidazole-2-carbonyl)amino]propanoate dihydrochloride Traditional Name: 3-[(1-methylbenzimidazole-2-carbonyl)amino]propionic acid [(E)-cinnamyl] ester dihydrochloride Formula: C21H23Cl2N3O3 MolecularWeight: 436.33162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(=O)NCCC(=O)OCC=CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(=O)NCCC(=O)OC/C=C/C3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H21N3O3.2ClH/c1-24-18-12-6-5-11-17(18)23-20(24)21(26)22-14-13-19(25)27-15-7-10-16-8-3-2-4-9-16;;/h2-12H,13-15H2,1H3,(H,22,26);2*1H/b10-7+;;