2-chloranyl-2-[4-(5-nonylpyrimidin-2-yl)phenyl]propanoic acid

Systemtic Name: 2-chloranyl-2-[4-(5-nonylpyrimidin-2-yl)phenyl]propanoic acid Openeye Name: 2-chloro-2-[4-(5-nonylpyrimidin-2-yl)phenyl]propanoic acid CAS Name: 2-chloro-2-[4-(5-nonyl-2-pyrimidinyl)phenyl]propanoic acid IUPAC Name: 2-chloro-2-[4-(5-nonylpyrimidin-2-yl)phenyl]propanoic acid Traditional Name: 2-chloro-2-[4-(5-nonylpyrimidin-2-yl)phenyl]propionic acid Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O2/c1-3-4-5-6-7-8-9-10-17-15-24-20(25-16-17)18-11-13-19(14-12-18)22(2,23)21(26)27/h11-16H,3-10H2,1-2H3,(H,26,27)