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

Systemtic Name: octan-2-yl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 1-methylheptyl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[4-(5-hexyl-2-pyrimidinyl)phenyl]propanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-hexylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[4-(5-hexylpyrimidin-2-yl)phenyl]propionic acid 1-methylheptyl ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2/c1-4-6-8-10-12-22(3)31-26(30)19-16-23-14-17-25(18-15-23)27-28-20-24(21-29-27)13-11-9-7-5-2/h14-15,17-18,20-22H,4-13,16,19H2,1-3H3