[4-(5-pentylpyrimidin-2-yl)phenyl] 2-chloranyl-3-methyl-pentanoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-chloro-3-methyl-pentanoate CAS Name: 2-chloro-3-methylpentanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 2-chloro-3-methylpentanoate Traditional Name: 2-chloro-3-methyl-valeric acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

InChI

InChI=1S/C21H27ClN2O2/c1-4-6-7-8-16-13-23-20(24-14-16)17-9-11-18(12-10-17)26-21(25)19(22)15(3)5-2/h9-15,19H,4-8H2,1-3H3