2-ethoxy-3-[4-[1-(5-pyrimidin-2-ylthiophen-2-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[1-(5-pyrimidin-2-ylthiophen-2-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[1-(5-pyrimidin-2-yl-2-thienyl)ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[1-[5-(2-pyrimidinyl)-2-thiophenyl]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[1-(5-pyrimidin-2-ylthiophen-2-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[1-[5-(2-pyrimidyl)-2-thienyl]ethoxy]phenyl]propionic acid Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OC(C)C2=CC=C(S2)C3=NC=CC=N3)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OC(C)C2=CC=C(S2)C3=NC=CC=N3)C(=O)O

InChI

InChI=1S/C21H22N2O4S/c1-3-26-17(21(24)25)13-15-5-7-16(8-6-15)27-14(2)18-9-10-19(28-18)20-22-11-4-12-23-20/h4-12,14,17H,3,13H2,1-2H3,(H,24,25)