2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate hydrochloride

Systemtic Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate hydrochloride Openeye Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate hydrochloride CAS Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate hydrochloride IUPAC Name: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate hydrochloride Traditional Name: 2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate hydrochloride Formula: C18H16ClN2O4- MolecularWeight: 359.78364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-])OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-])OC.Cl

InChI

InChI=1S/C18H16N2O4.ClH/c1-23-14-8-6-11(10-15(14)24-2)7-9-16-19-13-5-3-4-12(18(21)22)17(13)20-16;/h3-10H,1-2H3,(H,19,20)(H,21,22);1H/p-1/b9-7+;