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

Systemtic Name: 2-methylbutyl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 2-methylbutyl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[4-(5-hexyl-2-pyrimidinyl)phenyl]propanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[4-(5-hexylpyrimidin-2-yl)phenyl]propionic acid 2-methylbutyl ester Formula: C24H34N2O2 MolecularWeight: 382.53896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O2/c1-4-6-7-8-9-21-16-25-24(26-17-21)22-13-10-20(11-14-22)12-15-23(27)28-18-19(3)5-2/h10-11,13-14,16-17,19H,4-9,12,15,18H2,1-3H3