2-ethoxy-3-[4-[1-[5-(5-ethylpyrimidin-2-yl)thiophen-2-yl]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[1-[5-(5-ethylpyrimidin-2-yl)thiophen-2-yl]ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[1-[5-(5-ethylpyrimidin-2-yl)-2-thienyl]ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[1-[5-(5-ethyl-2-pyrimidinyl)-2-thiophenyl]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[1-[5-(5-ethylpyrimidin-2-yl)thiophen-2-yl]ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[1-[5-(5-ethylpyrimidin-2-yl)-2-thienyl]ethoxy]phenyl]propionic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)C2=CC=C(S2)C(C)OC3=CC=C(C=C3)CC(C(=O)O)OCC

Isomeric SMILES

CCC1=CN=C(N=C1)C2=CC=C(S2)C(C)OC3=CC=C(C=C3)CC(C(=O)O)OCC

InChI

InChI=1S/C23H26N2O4S/c1-4-16-13-24-22(25-14-16)21-11-10-20(30-21)15(3)29-18-8-6-17(7-9-18)12-19(23(26)27)28-5-2/h6-11,13-15,19H,4-5,12H2,1-3H3,(H,26,27)