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

Systemtic Name: 2-methylbutyl 3-[4-(5-octylpyrimidin-2-yl)phenyl]butanoate Openeye Name: 2-methylbutyl 3-[4-(5-octylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-octyl-2-pyrimidinyl)phenyl]butanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-[4-(5-octylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-octylpyrimidin-2-yl)phenyl]butyric acid 2-methylbutyl ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

InChI

InChI=1S/C27H40N2O2/c1-5-7-8-9-10-11-12-23-18-28-27(29-19-23)25-15-13-24(14-16-25)22(4)17-26(30)31-20-21(3)6-2/h13-16,18-19,21-22H,5-12,17,20H2,1-4H3