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pyrimidin-5-yl 4-octyl-2-(4-octylphenyl)benzoate

pyrimidin-5-yl 4-octyl-2-(4-octylphenyl)benzoate

Systemtic Name:pyrimidin-5-yl 4-octyl-2-(4-octylphenyl)benzoate
Openeye Name:pyrimidin-5-yl 4-octyl-2-(4-octylphenyl)benzoate
CAS Name:4-octyl-2-(4-octylphenyl)benzoic acid 5-pyrimidinyl ester
IUPAC Name:pyrimidin-5-yl 4-octyl-2-(4-octylphenyl)benzoate
Traditional Name:4-octyl-2-(4-octylphenyl)benzoic acid 5-pyrimidyl ester
Formula: C33H44N2O2
MolecularWeight: 500.71466
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCCCC)C(=O)OC3=CN=CN=C3


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCCCC)C(=O)OC3=CN=CN=C3


InChI

InChI=1S/C33H44N2O2/c1-3-5-7-9-11-13-15-27-17-20-29(21-18-27)32-23-28(16-14-12-10-8-6-4-2)19-22-31(32)33(36)37-30-24-34-26-35-25-30/h17-26H,3-16H2,1-2H3


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