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

Systemtic Name: 4-[2-[5-(1H-benzimidazol-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid Openeye Name: 4-[2-[5-(1H-benzimidazol-2-yl)-2,4-dimethoxy-phenyl]prop-2-enoyl]benzoic acid CAS Name: 4-[2-[5-(1H-benzimidazol-2-yl)-2,4-dimethoxyphenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-[5-(1H-benzimidazol-2-yl)-2,4-dimethoxyphenyl]prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[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(=C)C(=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/c1-14(23(28)15-8-10-16(11-9-15)25(29)30)17-12-18(22(32-3)13-21(17)31-2)24-26-19-6-4-5-7-20(19)27-24/h4-13H,1H2,2-3H3,(H,26,27)(H,29,30)