2-methylbutyl 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoate

Systemtic Name: 2-methylbutyl 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoate Openeye Name: 2-methylbutyl 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-heptyl-2-pyrimidinyl)phenyl]butanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-heptylpyrimidin-2-yl)phenyl]butyric acid 2-methylbutyl ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

InChI

InChI=1S/C26H38N2O2/c1-5-7-8-9-10-11-22-17-27-26(28-18-22)24-14-12-23(13-15-24)21(4)16-25(29)30-19-20(3)6-2/h12-15,17-18,20-21H,5-11,16,19H2,1-4H3