4-[2-(4-hexoxyphenyl)pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[2-(4-hexoxyphenyl)pyrimidin-4-yl]benzoic acid Openeye Name: 4-[2-(4-hexoxyphenyl)pyrimidin-4-yl]benzoic acid CAS Name: 4-[2-(4-hexoxyphenyl)-4-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-(4-hexoxyphenyl)pyrimidin-4-yl]benzoic acid Traditional Name: 4-[2-(4-hexoxyphenyl)pyrimidin-4-yl]benzoic acid Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H24N2O3/c1-2-3-4-5-16-28-20-12-10-18(11-13-20)22-24-15-14-21(25-22)17-6-8-19(9-7-17)23(26)27/h6-15H,2-5,16H2,1H3,(H,26,27)