ethyl 3-[2-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-1-yl]propanoate; hydron; chloride; hydrate

Systemtic Name: ethyl 3-[2-(2-ethoxy-2-oxidanylidene-ethyl)benzimidazol-1-yl]propanoate; hydron; chloride; hydrate Openeye Name: ethyl 3-[2-(2-ethoxy-2-oxo-ethyl)benzimidazol-1-yl]propanoate; hydron; chloride; hydrate CAS Name: 3-[2-(2-ethoxy-2-oxoethyl)-1-benzimidazolyl]propanoic acid ethyl ester; hydron; chloride; hydrate IUPAC Name: ethyl 3-[2-(2-ethoxy-2-oxoethyl)benzimidazol-1-yl]propanoate; hydron; chloride; hydrate Traditional Name: 3-[2-(2-ethoxy-2-keto-ethyl)benzimidazol-1-yl]propionic acid ethyl ester; hydron; chloride; hydrate Formula: C16H23ClN2O5 MolecularWeight: 358.81722

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCOC(=O)CCN1C2=CC=CC=C2N=C1CC(=O)OCC.O.[Cl-]

Isomeric SMILES

[H+].CCOC(=O)CCN1C2=CC=CC=C2N=C1CC(=O)OCC.O.[Cl-]

InChI

InChI=1S/C16H20N2O4.ClH.H2O/c1-3-21-15(19)9-10-18-13-8-6-5-7-12(13)17-14(18)11-16(20)22-4-2;;/h5-8H,3-4,9-11H2,1-2H3;1H;1H2