[4-(5-heptylpyrimidin-2-yl)phenyl] 2-chloranylpentanoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-chloranylpentanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-chloropentanoate CAS Name: 2-chloropentanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-chloropentanoate Traditional Name: 2-chlorovaleric 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(CCC)Cl

Isomeric SMILES

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

InChI

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