2-[(E)-2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(3-methoxy-4-prop-2-ynoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid Openeye Name: 2-[(E)-2-(3-methoxy-4-prop-2-ynoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylic acid CAS Name: 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid IUPAC Name: 2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid Traditional Name: 2-[(E)-2-(3-methoxy-4-propargyloxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylic acid Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)O)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)O)OCC#C

InChI

InChI=1S/C20H16N2O4/c1-3-11-26-16-9-7-13(12-17(16)25-2)8-10-18-21-15-6-4-5-14(20(23)24)19(15)22-18/h1,4-10,12H,11H2,2H3,(H,21,22)(H,23,24)/b10-8+