4-[(E)-3-[5-(1H-benzimidazol-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(E)-3-[5-(1H-benzimidazol-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-[5-(1H-benzimidazol-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-[5-(1H-benzimidazol-2-yl)-2,4-dimethoxyphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[5-(1H-benzimidazol-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[5-(1H-benzimidazol-2-yl)-2,4-dimethoxy-phenyl]acryloyl]benzoic acid Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=NC3=CC=CC=C3N2)C=CC(=O)C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=NC3=CC=CC=C3N2)/C=C/C(=O)C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C25H20N2O5/c1-31-22-14-23(32-2)18(24-26-19-5-3-4-6-20(19)27-24)13-17(22)11-12-21(28)15-7-9-16(10-8-15)25(29)30/h3-14H,1-2H3,(H,26,27)(H,29,30)/b12-11+