2-ethoxy-3-[4-[2-[1-(1-iodanylethyl)-6-oxidanylidene-4-phenyl-pyrimidin-2-yl]ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethoxy-3-[4-[2-[1-(1-iodanylethyl)-6-oxidanylidene-4-phenyl-pyrimidin-2-yl]ethoxy]phenyl]propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[1-(1-iodoethyl)-6-oxo-4-phenyl-pyrimidin-2-yl]ethoxy]phenyl]propanoic acid CAS Name: 2-ethoxy-3-[4-[2-[1-(1-iodoethyl)-6-oxo-4-phenyl-2-pyrimidinyl]ethoxy]phenyl]propanoic acid IUPAC Name: 2-ethoxy-3-[4-[2-[1-(1-iodoethyl)-6-oxo-4-phenylpyrimidin-2-yl]ethoxy]phenyl]propanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[1-(1-iodoethyl)-6-keto-4-phenyl-pyrimidin-2-yl]ethoxy]phenyl]propionic acid Formula: C25H27IN2O5 MolecularWeight: 562.39675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC2=NC(=CC(=O)N2C(C)I)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCC2=NC(=CC(=O)N2C(C)I)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H27IN2O5/c1-3-32-22(25(30)31)15-18-9-11-20(12-10-18)33-14-13-23-27-21(19-7-5-4-6-8-19)16-24(29)28(23)17(2)26/h4-12,16-17,22H,3,13-15H2,1-2H3,(H,30,31)