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

Systemtic Name: 3-[4-[2-(2-ethyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl)ethoxy]phenyl]propanoic acid Openeye Name: 3-[4-[2-(2-ethyl-4-methyl-6-oxo-pyrimidin-1-yl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-(2-ethyl-4-methyl-6-oxo-1-pyrimidinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[2-(2-ethyl-4-methyl-6-oxopyrimidin-1-yl)ethoxy]phenyl]propanoic acid Traditional Name: 3-[4-[2-(2-ethyl-6-keto-4-methyl-pyrimidin-1-yl)ethoxy]phenyl]propionic acid Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CC(=O)N1CCOC2=CC=C(C=C2)CCC(=O)O)C

Isomeric SMILES

CCC1=NC(=CC(=O)N1CCOC2=CC=C(C=C2)CCC(=O)O)C

InChI

InChI=1S/C18H22N2O4/c1-3-16-19-13(2)12-17(21)20(16)10-11-24-15-7-4-14(5-8-15)6-9-18(22)23/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,22,23)