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

Systemtic Name: 4-[(E)-3-(2,4-dimethoxy-5-pyrimidin-5-yl-phenyl)prop-2-enoyl]benzoic acid Openeye Name: 4-[(E)-3-(2,4-dimethoxy-5-pyrimidin-5-yl-phenyl)prop-2-enoyl]benzoic acid CAS Name: 4-[(E)-3-[2,4-dimethoxy-5-(5-pyrimidinyl)phenyl]-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(E)-3-(2,4-dimethoxy-5-pyrimidin-5-ylphenyl)prop-2-enoyl]benzoic acid Traditional Name: 4-[(E)-3-[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=CC(=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/c1-28-20-10-21(29-2)18(17-11-23-13-24-12-17)9-16(20)7-8-19(25)14-3-5-15(6-4-14)22(26)27/h3-13H,1-2H3,(H,26,27)/b8-7+