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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester 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)OC(=O)C(C(C)C)Cl

Isomeric SMILES

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

InChI

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