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

Systemtic Name: 2-[(E)-2-[4-(2-acetyloxyethoxy)-3-methoxy-phenyl]ethenyl]-1H-benzimidazole-4-carboxylic acid Openeye Name: 2-[(E)-2-[4-(2-acetoxyethoxy)-3-methoxy-phenyl]vinyl]-1H-benzimidazole-4-carboxylic acid CAS Name: 2-[(E)-2-[4-(2-acetyloxyethoxy)-3-methoxyphenyl]ethenyl]-1H-benzimidazole-4-carboxylic acid IUPAC Name: 2-[(E)-2-[4-(2-acetyloxyethoxy)-3-methoxyphenyl]ethenyl]-1H-benzimidazole-4-carboxylic acid Traditional Name: 2-[(E)-2-[4-(2-acetoxyethoxy)-3-methoxy-phenyl]vinyl]-1H-benzimidazole-4-carboxylic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCOC1=C(C=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)O)OC

Isomeric SMILES

CC(=O)OCCOC1=C(C=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)O)OC

InChI

InChI=1S/C21H20N2O6/c1-13(24)28-10-11-29-17-8-6-14(12-18(17)27-2)7-9-19-22-16-5-3-4-15(21(25)26)20(16)23-19/h3-9,12H,10-11H2,1-2H3,(H,22,23)(H,25,26)/b9-7+