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

Systemtic Name: 2-(2-chloranylpropyl)-4-(5-decylpyrimidin-2-yl)benzoic acid Openeye Name: 2-(2-chloropropyl)-4-(5-decylpyrimidin-2-yl)benzoic acid CAS Name: 2-(2-chloropropyl)-4-(5-decyl-2-pyrimidinyl)benzoic acid IUPAC Name: 2-(2-chloropropyl)-4-(5-decylpyrimidin-2-yl)benzoic acid Traditional Name: 2-(2-chloropropyl)-4-(5-decylpyrimidin-2-yl)benzoic acid Formula: C24H33ClN2O2 MolecularWeight: 416.98402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33ClN2O2/c1-3-4-5-6-7-8-9-10-11-19-16-26-23(27-17-19)20-12-13-22(24(28)29)21(15-20)14-18(2)25/h12-13,15-18H,3-11,14H2,1-2H3,(H,28,29)