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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-chloranyl-4-methyl-heptanoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-chloro-4-methyl-heptanoate CAS Name: 3-chloro-4-methylheptanoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-chloro-4-methylheptanoate Traditional Name: 3-chloro-4-methyl-enanthic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C23H31ClN2O2 MolecularWeight: 402.95744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN2O2/c1-4-6-7-9-18-15-25-23(26-16-18)19-10-12-20(13-11-19)28-22(27)14-21(24)17(3)8-5-2/h10-13,15-17,21H,4-9,14H2,1-3H3