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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H52N2O4/c1-5-9-11-13-14-15-16-17-19-27-25-35-32(36-26-27)30-22-21-29(28(23-30)20-18-12-10-6-2)24-31(33(37)39-7-3)34(38)40-8-4/h21-23,25-26,31H,5-20,24H2,1-4H3