[4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 3-methylhexanoate

Systemtic Name: [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 3-methylhexanoate Openeye Name: [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 3-methylhexanoate CAS Name: 3-methylhexanoic acid [4-[2-(4-nonoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] 3-methylhexanoate Traditional Name: 3-methylhexanoic acid [4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C32H42N2O3 MolecularWeight: 502.68748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC(C)CCC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC(C)CCC

InChI

InChI=1S/C32H42N2O3/c1-4-6-7-8-9-10-11-21-36-29-17-15-27(16-18-29)32-33-23-28(24-34-32)26-13-19-30(20-14-26)37-31(35)22-25(3)12-5-2/h13-20,23-25H,4-12,21-22H2,1-3H3