[2-chloranyl-6-(2-heptylpyrimidin-5-yl)phenyl] pentanoate

Systemtic Name: [2-chloranyl-6-(2-heptylpyrimidin-5-yl)phenyl] pentanoate Openeye Name: [2-chloro-6-(2-heptylpyrimidin-5-yl)phenyl] pentanoate CAS Name: pentanoic acid [2-chloro-6-(2-heptyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [2-chloro-6-(2-heptylpyrimidin-5-yl)phenyl] pentanoate Traditional Name: valeric acid [2-chloro-6-(2-heptylpyrimidin-5-yl)phenyl] ester Formula: C22H29ClN2O2 MolecularWeight: 388.93086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC=C(C=N1)C2=C(C(=CC=C2)Cl)OC(=O)CCCC

Isomeric SMILES

CCCCCCCC1=NC=C(C=N1)C2=C(C(=CC=C2)Cl)OC(=O)CCCC

InChI

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