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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCC(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCC(=O)O

InChI

InChI=1S/C27H32N2O2/c1-2-3-4-5-6-9-22-14-17-24(27-28-18-8-19-29-27)25(20-22)23-15-12-21(13-16-23)10-7-11-26(30)31/h8,12-20H,2-7,9-11H2,1H3,(H,30,31)