3-[6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-[(E)-2-(4-methoxyphenyl)vinyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-6-[(E)-2-(4-methoxyphenyl)vinyl]-2-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=CC2=CC=C(C=C2)OC)CCC(=O)O

Isomeric SMILES

CC1=NC(=O)C(=C(N1)/C=C/C2=CC=C(C=C2)OC)CCC(=O)O

InChI

InChI=1S/C17H18N2O4/c1-11-18-15(14(17(22)19-11)8-10-16(20)21)9-5-12-3-6-13(23-2)7-4-12/h3-7,9H,8,10H2,1-2H3,(H,20,21)(H,18,19,22)/b9-5+