[2-chloranyl-4-(2-heptylpyrimidin-5-yl)phenyl] pentanoate

Systemtic Name: [2-chloranyl-4-(2-heptylpyrimidin-5-yl)phenyl] pentanoate Openeye Name: [2-chloro-4-(2-heptylpyrimidin-5-yl)phenyl] pentanoate CAS Name: pentanoic acid [2-chloro-4-(2-heptyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [2-chloro-4-(2-heptylpyrimidin-5-yl)phenyl] pentanoate Traditional Name: valeric acid [2-chloro-4-(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=CC(=C(C=C2)OC(=O)CCCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN2O2/c1-3-5-7-8-9-10-21-24-15-18(16-25-21)17-12-13-20(19(23)14-17)27-22(26)11-6-4-2/h12-16H,3-11H2,1-2H3