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

Systemtic Name: [2-(4-decylpyrimidin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-decylpyrimidin-2-yl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-decylpyrimidin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-decylpyrimidin-2-yl)phenyl] ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C27H40N2O2/c1-4-6-7-8-9-10-11-12-15-23-20-21-28-27(29-23)24-16-13-14-17-25(24)31-26(30)19-18-22(3)5-2/h13-14,16-17,20-22H,4-12,15,18-19H2,1-3H3