(E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-but-2-enoic acid

Systemtic Name: (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-but-2-enoic acid Openeye Name: (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-but-2-enoic acid CAS Name: (E)-2-[2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]phenyl]-3-methoxy-2-butenoic acid IUPAC Name: (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxybut-2-enoic acid Traditional Name: (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxy-but-2-enoic acid Formula: C22H17N3O5 MolecularWeight: 403.38748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)O)OC

Isomeric SMILES

C/C(=C(/C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)\C(=O)O)/OC

InChI

InChI=1S/C22H17N3O5/c1-14(28-2)21(22(26)27)16-8-4-6-10-18(16)30-20-11-19(24-13-25-20)29-17-9-5-3-7-15(17)12-23/h3-11,13H,1-2H3,(H,26,27)/b21-14+