[2-(4-octylpyrimidin-2-yl)phenyl] 4-methylhexanoate

Systemtic Name: [2-(4-octylpyrimidin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-octylpyrimidin-2-yl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-octylpyrimidin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-octylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C25H36N2O2/c1-4-6-7-8-9-10-13-21-18-19-26-25(27-21)22-14-11-12-15-23(22)29-24(28)17-16-20(3)5-2/h11-12,14-15,18-20H,4-10,13,16-17H2,1-3H3