3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-2-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[6-[(E)-2-(4-chlorophenyl)prop-1-enyl]-4-keto-2-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)C=C(C)C2=CC=C(C=C2)Cl)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O3/c1-10(12-3-5-13(18)6-4-12)9-15-14(7-8-16(21)22)17(23)20-11(2)19-15/h3-6,9H,7-8H2,1-2H3,(H,21,22)(H,19,20,23)/b10-9+