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

Systemtic Name: 2-[(E)-2-(4-methoxy-3-prop-2-enoxy-phenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid Openeye Name: 2-[(E)-2-(3-allyloxy-4-methoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylic acid CAS Name: 2-[(E)-2-(4-methoxy-3-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid IUPAC Name: 2-[(E)-2-(4-methoxy-3-prop-2-enoxyphenyl)ethenyl]-1H-benzimidazole-4-carboxylic acid Traditional Name: 2-[(E)-2-(3-allyloxy-4-methoxy-phenyl)vinyl]-1H-benzimidazole-4-carboxylic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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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)OCC=C

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O4/c1-3-11-26-17-12-13(7-9-16(17)25-2)8-10-18-21-15-6-4-5-14(20(23)24)19(15)22-18/h3-10,12H,1,11H2,2H3,(H,21,22)(H,23,24)/b10-8+