4-[4-(6-heptylpyridin-3-yl)phenyl]benzoic acid

Systemtic Name: 4-[4-(6-heptylpyridin-3-yl)phenyl]benzoic acid Openeye Name: 4-[4-(6-heptyl-3-pyridyl)phenyl]benzoic acid CAS Name: 4-[4-(6-heptyl-3-pyridinyl)phenyl]benzoic acid IUPAC Name: 4-[4-(6-heptylpyridin-3-yl)phenyl]benzoic acid Traditional Name: 4-[4-(6-heptyl-3-pyridyl)phenyl]benzoic acid Formula: C25H27NO2 MolecularWeight: 373.48738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO2/c1-2-3-4-5-6-7-24-17-16-23(18-26-24)21-10-8-19(9-11-21)20-12-14-22(15-13-20)25(27)28/h8-18H,2-7H2,1H3,(H,27,28)