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

Systemtic Name: 2-methylbutyl 2-[4-(5-hexylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 2-methylbutyl 2-[4-(5-hexylpyrimidin-2-yl)phenyl]propanoate CAS Name: 2-[4-(5-hexyl-2-pyrimidinyl)phenyl]propanoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-[4-(5-hexylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 2-[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)C(C)C(=O)OCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O2/c1-5-7-8-9-10-20-15-25-23(26-16-20)22-13-11-21(12-14-22)19(4)24(27)28-17-18(3)6-2/h11-16,18-19H,5-10,17H2,1-4H3