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

Systemtic Name: 4-[2-(2,4-dimethoxy-5-pyrimidin-5-yl-phenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[2-(2,4-dimethoxy-5-pyrimidin-5-yl-phenyl)prop-2-enoyl]benzoic acid CAS Name: 4-[2-[2,4-dimethoxy-5-(5-pyrimidinyl)phenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[2-(2,4-dimethoxy-5-pyrimidin-5-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[2-[2,4-dimethoxy-5-(5-pyrimidyl)phenyl]acryloyl]benzoic acid Formula: C22H18N2O5 MolecularWeight: 390.38872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CN=CN=C2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1C2=CN=CN=C2)C(=C)C(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C22H18N2O5/c1-13(21(25)14-4-6-15(7-5-14)22(26)27)17-8-18(16-10-23-12-24-11-16)20(29-3)9-19(17)28-2/h4-12H,1H2,2-3H3,(H,26,27)