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

Systemtic Name: 2-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]butanoic acid Openeye Name: 2-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]butanoic acid CAS Name: 2-[4-[4-(5-heptyl-2-pyrimidinyl)phenyl]phenyl]butanoic acid IUPAC Name: 2-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]butanoic acid Traditional Name: 2-[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl]butyric acid Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(CC)C(=O)O

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(CC)C(=O)O

InChI

InChI=1S/C27H32N2O2/c1-3-5-6-7-8-9-20-18-28-26(29-19-20)24-16-12-22(13-17-24)21-10-14-23(15-11-21)25(4-2)27(30)31/h10-19,25H,3-9H2,1-2H3,(H,30,31)