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

Systemtic Name: [4-(2-hexoxypyrimidin-5-yl)phenyl] 3-cyano-2-methyl-hexanoate Openeye Name: [4-(2-hexoxypyrimidin-5-yl)phenyl] 3-cyano-2-methyl-hexanoate CAS Name: 3-cyano-2-methylhexanoic acid [4-(2-hexoxy-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-hexoxypyrimidin-5-yl)phenyl] 3-cyano-2-methylhexanoate Traditional Name: 3-cyano-2-methyl-hexanoic acid [4-(2-hexoxypyrimidin-5-yl)phenyl] ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-4-6-7-8-14-29-24-26-16-21(17-27-24)19-10-12-22(13-11-19)30-23(28)18(3)20(15-25)9-5-2/h10-13,16-18,20H,4-9,14H2,1-3H3