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

Systemtic Name: 2-(2-chloranylpropyl)-4-(5-octylpyrimidin-2-yl)benzoic acid Openeye Name: 2-(2-chloropropyl)-4-(5-octylpyrimidin-2-yl)benzoic acid CAS Name: 2-(2-chloropropyl)-4-(5-octyl-2-pyrimidinyl)benzoic acid IUPAC Name: 2-(2-chloropropyl)-4-(5-octylpyrimidin-2-yl)benzoic acid Traditional Name: 2-(2-chloropropyl)-4-(5-octylpyrimidin-2-yl)benzoic acid Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CC(C)Cl

InChI

InChI=1S/C22H29ClN2O2/c1-3-4-5-6-7-8-9-17-14-24-21(25-15-17)18-10-11-20(22(26)27)19(13-18)12-16(2)23/h10-11,13-16H,3-9,12H2,1-2H3,(H,26,27)