2-[4-[(6-butyl-2-ethyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(6-butyl-2-ethyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(6-butyl-2-ethyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(6-butyl-2-ethyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(6-butyl-2-ethyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(6-butyl-2-ethyl-4-keto-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid Formula: C24H26N2O3 MolecularWeight: 390.47484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N=C(N1)CC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)N=C(N1)CC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H26N2O3/c1-3-5-10-21-20(23(27)26-22(4-2)25-21)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)24(28)29/h6-9,11-14H,3-5,10,15H2,1-2H3,(H,28,29)(H,25,26,27)