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

Systemtic Name: [2-(4-pentylpyrimidin-2-yl)phenyl] 4-methylhexanoate Openeye Name: [2-(4-pentylpyrimidin-2-yl)phenyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(4-pentylpyrimidin-2-yl)phenyl] 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-(4-amylpyrimidin-2-yl)phenyl] ester Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCC1=NC(=NC=C1)C2=CC=CC=C2OC(=O)CCC(C)CC

InChI

InChI=1S/C22H30N2O2/c1-4-6-7-10-18-15-16-23-22(24-18)19-11-8-9-12-20(19)26-21(25)14-13-17(3)5-2/h8-9,11-12,15-17H,4-7,10,13-14H2,1-3H3