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

Systemtic Name: 2-(2-chloranylpropyl)-4-(5-nonylpyrimidin-2-yl)benzoic acid Openeye Name: 2-(2-chloropropyl)-4-(5-nonylpyrimidin-2-yl)benzoic acid CAS Name: 2-(2-chloropropyl)-4-(5-nonyl-2-pyrimidinyl)benzoic acid IUPAC Name: 2-(2-chloropropyl)-4-(5-nonylpyrimidin-2-yl)benzoic acid Traditional Name: 2-(2-chloropropyl)-4-(5-nonylpyrimidin-2-yl)benzoic acid Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

InChI

InChI=1S/C23H31ClN2O2/c1-3-4-5-6-7-8-9-10-18-15-25-22(26-16-18)19-11-12-21(23(27)28)20(14-19)13-17(2)24/h11-12,14-17H,3-10,13H2,1-2H3,(H,27,28)