(E)-2-[2-(2-cyanophenoxy)phenyl]-3-methoxy-3-pyrimidin-4-yloxy-prop-2-enoic acid

Systemtic Name: (E)-2-[2-(2-cyanophenoxy)phenyl]-3-methoxy-3-pyrimidin-4-yloxy-prop-2-enoic acid Openeye Name: (E)-2-[2-(2-cyanophenoxy)phenyl]-3-methoxy-3-pyrimidin-4-yloxy-prop-2-enoic acid CAS Name: (E)-2-[2-(2-cyanophenoxy)phenyl]-3-methoxy-3-(4-pyrimidinyloxy)-2-propenoic acid IUPAC Name: (E)-2-[2-(2-cyanophenoxy)phenyl]-3-methoxy-3-pyrimidin-4-yloxyprop-2-enoic acid Traditional Name: (E)-2-[2-(2-cyanophenoxy)phenyl]-3-methoxy-3-(4-pyrimidyloxy)acrylic acid Formula: C21H15N3O5 MolecularWeight: 389.3609

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C(C1=CC=CC=C1OC2=CC=CC=C2C#N)C(=O)O)OC3=NC=NC=C3

Isomeric SMILES

CO/C(=C(/C1=CC=CC=C1OC2=CC=CC=C2C#N)\C(=O)O)/OC3=NC=NC=C3

InChI

InChI=1S/C21H15N3O5/c1-27-21(29-18-10-11-23-13-24-18)19(20(25)26)15-7-3-5-9-17(15)28-16-8-4-2-6-14(16)12-22/h2-11,13H,1H3,(H,25,26)/b21-19+