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

Systemtic Name: octan-2-yl 3-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate Openeye Name: 1-methylheptyl 3-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate CAS Name: 3-[4-(5-butyl-2-pyrimidinyl)phenyl]propanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 3-[4-(5-butylpyrimidin-2-yl)phenyl]propanoate Traditional Name: 3-[4-(5-butylpyrimidin-2-yl)phenyl]propionic acid 1-methylheptyl ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2/c1-4-6-8-9-10-20(3)29-24(28)17-14-21-12-15-23(16-13-21)25-26-18-22(19-27-25)11-7-5-2/h12-13,15-16,18-20H,4-11,14,17H2,1-3H3