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

Systemtic Name: octan-2-yl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 1-methylheptyl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[4-(5-pentyl-2-pyrimidinyl)phenyl]propanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-pentylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[4-(5-amylpyrimidin-2-yl)phenyl]propionic acid 1-methylheptyl ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CCC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCC

Isomeric SMILES

CCCCCCC(C)OC(=O)CCC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCC

InChI

InChI=1S/C26H38N2O2/c1-4-6-8-10-11-21(3)30-25(29)18-15-22-13-16-24(17-14-22)26-27-19-23(20-28-26)12-9-7-5-2/h13-14,16-17,19-21H,4-12,15,18H2,1-3H3