4-[3-[(2-methylphenyl)methyl]-5-pyrimidin-2-yl-phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[3-[(2-methylphenyl)methyl]-5-pyrimidin-2-yl-phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[3-(o-tolylmethyl)-5-pyrimidin-2-yl-phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[3-[(2-methylphenyl)methyl]-5-(2-pyrimidinyl)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[3-[(2-methylphenyl)methyl]-5-pyrimidin-2-ylphenyl]-2,4-dioxobutanoic acid Traditional Name: 2,4-diketo-4-[3-(2-methylbenzyl)-5-(2-pyrimidyl)phenyl]butyric acid Formula: C22H18N2O4 MolecularWeight: 374.38932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=CC(=CC(=C2)C(=O)CC(=O)C(=O)O)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC=C1CC2=CC(=CC(=C2)C(=O)CC(=O)C(=O)O)C3=NC=CC=N3

InChI

InChI=1S/C22H18N2O4/c1-14-5-2-3-6-16(14)9-15-10-17(19(25)13-20(26)22(27)28)12-18(11-15)21-23-7-4-8-24-21/h2-8,10-12H,9,13H2,1H3,(H,27,28)