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

Systemtic Name: diethyl 2-[[4-(5-decylpyrimidin-2-yl)phenyl]methyl]propanedioate Openeye Name: diethyl 2-[[4-(5-decylpyrimidin-2-yl)phenyl]methyl]propanedioate CAS Name: 2-[[4-(5-decyl-2-pyrimidinyl)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(5-decylpyrimidin-2-yl)phenyl]methyl]propanedioate Traditional Name: 2-[4-(5-decylpyrimidin-2-yl)benzyl]malonic acid diethyl ester Formula: C28H40N2O4 MolecularWeight: 468.6282

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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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O4/c1-4-7-8-9-10-11-12-13-14-23-20-29-26(30-21-23)24-17-15-22(16-18-24)19-25(27(31)33-5-2)28(32)34-6-3/h15-18,20-21,25H,4-14,19H2,1-3H3