2-chloranyl-2-[4-(5-heptylpyrimidin-2-yl)phenyl]-3-methyl-butanoic acid

Systemtic Name: 2-chloranyl-2-[4-(5-heptylpyrimidin-2-yl)phenyl]-3-methyl-butanoic acid Openeye Name: 2-chloro-2-[4-(5-heptylpyrimidin-2-yl)phenyl]-3-methyl-butanoic acid CAS Name: 2-chloro-2-[4-(5-heptyl-2-pyrimidinyl)phenyl]-3-methylbutanoic acid IUPAC Name: 2-chloro-2-[4-(5-heptylpyrimidin-2-yl)phenyl]-3-methylbutanoic acid Traditional Name: 2-chloro-2-[4-(5-heptylpyrimidin-2-yl)phenyl]-3-methyl-butyric acid Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C(C)C)(C(=O)O)Cl

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C(C)C)(C(=O)O)Cl

InChI

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