[4-(2-hexoxypyrimidin-5-yl)phenyl] 3-chloranyl-2-methyl-hexanoate

Systemtic Name: [4-(2-hexoxypyrimidin-5-yl)phenyl] 3-chloranyl-2-methyl-hexanoate Openeye Name: [4-(2-hexoxypyrimidin-5-yl)phenyl] 3-chloro-2-methyl-hexanoate CAS Name: 3-chloro-2-methylhexanoic acid [4-(2-hexoxy-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-hexoxypyrimidin-5-yl)phenyl] 3-chloro-2-methylhexanoate Traditional Name: 3-chloro-2-methyl-hexanoic acid [4-(2-hexoxypyrimidin-5-yl)phenyl] ester Formula: C23H31ClN2O3 MolecularWeight: 418.95684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C)C(CCC)Cl

Isomeric SMILES

CCCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)C(C)C(CCC)Cl

InChI

InChI=1S/C23H31ClN2O3/c1-4-6-7-8-14-28-23-25-15-19(16-26-23)18-10-12-20(13-11-18)29-22(27)17(3)21(24)9-5-2/h10-13,15-17,21H,4-9,14H2,1-3H3