4-(5-decylpyrimidin-2-yl)benzoic acid

Systemtic Name: 4-(5-decylpyrimidin-2-yl)benzoic acid Openeye Name: 4-(5-decylpyrimidin-2-yl)benzoic acid CAS Name: 4-(5-decyl-2-pyrimidinyl)benzoic acid IUPAC Name: 4-(5-decylpyrimidin-2-yl)benzoic acid Traditional Name: 4-(5-decylpyrimidin-2-yl)benzoic acid Formula: C21H28N2O2 MolecularWeight: 340.45922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H28N2O2/c1-2-3-4-5-6-7-8-9-10-17-15-22-20(23-16-17)18-11-13-19(14-12-18)21(24)25/h11-16H,2-10H2,1H3,(H,24,25)