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[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate

[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate

Systemtic Name:[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate
Openeye Name:[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate
CAS Name:7-methylnonanoic acid [4-[2-(4-octylphenyl)-5-pyrimidinyl]phenyl] ester
IUPAC Name:[4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] 7-methylnonanoate
Traditional Name:7-methylpelargonic acid [4-[2-(4-octylphenyl)pyrimidin-5-yl]phenyl] ester
Formula: C34H46N2O2
MolecularWeight: 514.74124
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCC(C)CC


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCC(C)CC


InChI

InChI=1S/C34H46N2O2/c1-4-6-7-8-9-12-15-28-17-19-30(20-18-28)34-35-25-31(26-36-34)29-21-23-32(24-22-29)38-33(37)16-13-10-11-14-27(3)5-2/h17-27H,4-16H2,1-3H3


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