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

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

Systemtic Name:[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 3-methylhexanoate
Openeye Name:[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 3-methylhexanoate
CAS Name:3-methylhexanoic acid [4-[2-(4-nonylphenyl)-5-pyrimidinyl]phenyl] ester
IUPAC Name:[4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] 3-methylhexanoate
Traditional Name:3-methylhexanoic acid [4-[2-(4-nonylphenyl)pyrimidin-5-yl]phenyl] ester
Formula: C32H42N2O2
MolecularWeight: 486.68808
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC(C)CCC


Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC(C)CCC


InChI

InChI=1S/C32H42N2O2/c1-4-6-7-8-9-10-11-13-26-14-16-28(17-15-26)32-33-23-29(24-34-32)27-18-20-30(21-19-27)36-31(35)22-25(3)12-5-2/h14-21,23-25H,4-13,22H2,1-3H3


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