2-[(E)-2-(3-ethoxy-4-prop-2-enoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: 2-[(E)-2-(3-ethoxy-4-prop-2-enoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylate Openeye Name: 2-[(E)-2-(4-allyloxy-3-ethoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylate CAS Name: 2-[(E)-2-(3-ethoxy-4-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate IUPAC Name: 2-[(E)-2-(3-ethoxy-4-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[(E)-2-(4-allyloxy-3-ethoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylate Formula: C21H19N2O4- MolecularWeight: 363.38656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-])OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-])OCC=C

InChI

InChI=1S/C21H20N2O4/c1-3-12-27-17-10-8-14(13-18(17)26-4-2)9-11-19-22-16-7-5-6-15(21(24)25)20(16)23-19/h3,5-11,13H,1,4,12H2,2H3,(H,22,23)(H,24,25)/p-1/b11-9+