ethyl 2-[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-pentyl-pyrimidin-4-yl]oxyethanoate

Systemtic Name: ethyl 2-[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-pentyl-pyrimidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-pentyl-pyrimidin-4-yl]oxyacetate CAS Name: 2-[[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-pentyl-4-pyrimidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[[4-(2-cyanophenyl)phenyl]methyl]-2-methyl-6-pentylpyrimidin-4-yl]oxyacetate Traditional Name: 2-[6-amyl-5-[4-(2-cyanophenyl)benzyl]-2-methyl-pyrimidin-4-yl]oxyacetic acid ethyl ester Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=NC(=N1)C)OCC(=O)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCCC1=C(C(=NC(=N1)C)OCC(=O)OCC)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C28H31N3O3/c1-4-6-7-12-26-25(28(31-20(3)30-26)34-19-27(32)33-5-2)17-21-13-15-22(16-14-21)24-11-9-8-10-23(24)18-29/h8-11,13-16H,4-7,12,17,19H2,1-3H3