3-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(4,6-dimethyl-2-oxidanylidene-pyrimidin-1-yl)methyl]benzoic acid Openeye Name: 3-[(4,6-dimethyl-2-oxo-pyrimidin-1-yl)methyl]benzoic acid CAS Name: 3-[(4,6-dimethyl-2-oxo-1-pyrimidinyl)methyl]benzoic acid IUPAC Name: 3-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]benzoic acid Traditional Name: 3-[(2-keto-4,6-dimethyl-pyrimidin-1-yl)methyl]benzoic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=O)N1CC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=O)N1CC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C14H14N2O3/c1-9-6-10(2)16(14(19)15-9)8-11-4-3-5-12(7-11)13(17)18/h3-7H,8H2,1-2H3,(H,17,18)