4-[5-[2-(4-pentylphenyl)ethynyl]pyrimidin-2-yl]benzoic acid

Systemtic Name: 4-[5-[2-(4-pentylphenyl)ethynyl]pyrimidin-2-yl]benzoic acid Openeye Name: 4-[5-[2-(4-pentylphenyl)ethynyl]pyrimidin-2-yl]benzoic acid CAS Name: 4-[5-[2-(4-pentylphenyl)ethynyl]-2-pyrimidinyl]benzoic acid IUPAC Name: 4-[5-[2-(4-pentylphenyl)ethynyl]pyrimidin-2-yl]benzoic acid Traditional Name: 4-[5-[2-(4-amylphenyl)ethynyl]pyrimidin-2-yl]benzoic acid Formula: C24H22N2O2 MolecularWeight: 370.44368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H22N2O2/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-16-25-23(26-17-20)21-12-14-22(15-13-21)24(27)28/h6-9,12-17H,2-5H2,1H3,(H,27,28)