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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-chloranyl-4-methyl-heptanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-chloro-4-methyl-heptanoate CAS Name: 3-chloro-4-methylheptanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-chloro-4-methylheptanoate Traditional Name: 3-chloro-4-methyl-enanthic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C24H33ClN2O2 MolecularWeight: 416.98402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C(C)CCC)Cl

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)CC(C(C)CCC)Cl

InChI

InChI=1S/C24H33ClN2O2/c1-4-6-7-8-10-19-16-26-24(27-17-19)20-11-13-21(14-12-20)29-23(28)15-22(25)18(3)9-5-2/h11-14,16-18,22H,4-10,15H2,1-3H3