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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-4-methyl-heptanoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-4-methyl-heptanoate CAS Name: 3-cyano-4-methylheptanoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-cyano-4-methylheptanoate Traditional Name: 3-cyano-4-methyl-enanthic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2/c1-4-6-7-8-10-20-17-27-25(28-18-20)21-11-13-23(14-12-21)30-24(29)15-22(16-26)19(3)9-5-2/h11-14,17-19,22H,4-10,15H2,1-3H3