2-(2-chloranylpropyl)-4-(5-hexylpyrimidin-2-yl)benzoic acid

Systemtic Name: 2-(2-chloranylpropyl)-4-(5-hexylpyrimidin-2-yl)benzoic acid Openeye Name: 2-(2-chloropropyl)-4-(5-hexylpyrimidin-2-yl)benzoic acid CAS Name: 2-(2-chloropropyl)-4-(5-hexyl-2-pyrimidinyl)benzoic acid IUPAC Name: 2-(2-chloropropyl)-4-(5-hexylpyrimidin-2-yl)benzoic acid Traditional Name: 2-(2-chloropropyl)-4-(5-hexylpyrimidin-2-yl)benzoic acid Formula: C20H25ClN2O2 MolecularWeight: 360.8777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

InChI

InChI=1S/C20H25ClN2O2/c1-3-4-5-6-7-15-12-22-19(23-13-15)16-8-9-18(20(24)25)17(11-16)10-14(2)21/h8-9,11-14H,3-7,10H2,1-2H3,(H,24,25)