2-[4-[(2-butyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(2-butyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(2-butyl-4-methyl-6-oxo-pyrimidin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(2-butyl-4-methyl-6-oxo-1-pyrimidinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(2-butyl-4-methyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(2-butyl-6-keto-4-methyl-pyrimidin-1-yl)methyl]phenyl]benzoic acid Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CCCCC1=NC(=CC(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C23H24N2O3/c1-3-4-9-21-24-16(2)14-22(26)25(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)23(27)28/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,27,28)