diethyl 2-[[4-(5-decylpyrimidin-2-yl)phenyl]methyl]-2-hexyl-propanedioate

Systemtic Name: diethyl 2-[[4-(5-decylpyrimidin-2-yl)phenyl]methyl]-2-hexyl-propanedioate Openeye Name: diethyl 2-[[4-(5-decylpyrimidin-2-yl)phenyl]methyl]-2-hexyl-propanedioate CAS Name: 2-[[4-(5-decyl-2-pyrimidinyl)phenyl]methyl]-2-hexylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(5-decylpyrimidin-2-yl)phenyl]methyl]-2-hexylpropanedioate Traditional Name: 2-[4-(5-decylpyrimidin-2-yl)benzyl]-2-hexyl-malonic acid diethyl ester Formula: C34H52N2O4 MolecularWeight: 552.78768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(CCCCCC)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)CC(CCCCCC)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C34H52N2O4/c1-5-9-11-13-14-15-16-17-19-29-26-35-31(36-27-29)30-22-20-28(21-23-30)25-34(32(37)39-7-3,33(38)40-8-4)24-18-12-10-6-2/h20-23,26-27H,5-19,24-25H2,1-4H3