2-[4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl]butanoic acid

Systemtic Name: 2-[4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl]butanoic acid Openeye Name: 2-[4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl]butanoic acid CAS Name: 2-[4-[4-(5-pentyl-2-pyrimidinyl)phenyl]phenyl]butanoic acid IUPAC Name: 2-[4-[4-(5-pentylpyrimidin-2-yl)phenyl]phenyl]butanoic acid Traditional Name: 2-[4-[4-(5-amylpyrimidin-2-yl)phenyl]phenyl]butyric acid Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(CC)C(=O)O

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(CC)C(=O)O

InChI

InChI=1S/C25H28N2O2/c1-3-5-6-7-18-16-26-24(27-17-18)22-14-10-20(11-15-22)19-8-12-21(13-9-19)23(4-2)25(28)29/h8-17,23H,3-7H2,1-2H3,(H,28,29)