2-[(E)-2-(4-butoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate Openeye Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate CAS Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate IUPAC Name: 2-[(E)-2-(4-butoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[(E)-2-(4-butoxyphenyl)vinyl]-1H-benzimidazole-4-carboxylate Formula: C20H19N2O3- MolecularWeight: 335.37646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-]

InChI

InChI=1S/C20H20N2O3/c1-2-3-13-25-15-10-7-14(8-11-15)9-12-18-21-17-6-4-5-16(20(23)24)19(17)22-18/h4-12H,2-3,13H2,1H3,(H,21,22)(H,23,24)/p-1/b12-9+