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

Systemtic Name: 2-methylbutyl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butanoate Openeye Name: 2-methylbutyl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butanoate CAS Name: 3-[4-(5-hexyl-2-pyrimidinyl)phenyl]butanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butanoate Traditional Name: 3-[4-(5-hexylpyrimidin-2-yl)phenyl]butyric acid 2-methylbutyl ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(C)CC(=O)OCC(C)CC

InChI

InChI=1S/C25H36N2O2/c1-5-7-8-9-10-21-16-26-25(27-17-21)23-13-11-22(12-14-23)20(4)15-24(28)29-18-19(3)6-2/h11-14,16-17,19-20H,5-10,15,18H2,1-4H3