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

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

Systemtic Name:2-[4-[(6-butyl-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid
Openeye Name:2-[4-[(6-butyl-2-methyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid
CAS Name:2-[4-[(6-butyl-2-methyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid
IUPAC Name:2-[4-[(6-butyl-2-methyl-4-oxo-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid
Traditional Name:2-[4-[(6-butyl-4-keto-2-methyl-1H-pyrimidin-5-yl)methyl]phenyl]benzoic acid
Formula: C23H24N2O3
MolecularWeight: 376.44826
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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