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

Systemtic Name: 2-methylbutyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]butanoate Openeye Name: 2-methylbutyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-butyl-2-pyrimidinyl)phenyl]butanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-butylpyrimidin-2-yl)phenyl]butyric acid 2-methylbutyl ester Formula: C23H32N2O2 MolecularWeight: 368.51238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

Isomeric SMILES

CCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

InChI

InChI=1S/C23H32N2O2/c1-5-7-8-19-14-24-23(25-15-19)21-11-9-20(10-12-21)18(4)13-22(26)27-16-17(3)6-2/h9-12,14-15,17-18H,5-8,13,16H2,1-4H3