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

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

Systemtic Name:2-methylbutyl 3-[4-(5-octoxypyrimidin-2-yl)phenyl]butanoate
Openeye Name:2-methylbutyl 3-[4-(5-octoxypyrimidin-2-yl)phenyl]butanoate
CAS Name:3-[4-(5-octoxy-2-pyrimidinyl)phenyl]butanoic acid 2-methylbutyl ester
IUPAC Name:2-methylbutyl 3-[4-(5-octoxypyrimidin-2-yl)phenyl]butanoate
Traditional Name:3-[4-(5-octoxypyrimidin-2-yl)phenyl]butyric acid 2-methylbutyl ester
Formula: C27H40N2O3
MolecularWeight: 440.6181
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC


Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC


InChI

InChI=1S/C27H40N2O3/c1-5-7-8-9-10-11-16-31-25-18-28-27(29-19-25)24-14-12-23(13-15-24)22(4)17-26(30)32-20-21(3)6-2/h12-15,18-19,21-22H,5-11,16-17,20H2,1-4H3


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