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

Systemtic Name: pyrimidin-5-yl 4-hexyl-2-(4-octylphenyl)benzoate Openeye Name: pyrimidin-5-yl 4-hexyl-2-(4-octylphenyl)benzoate CAS Name: 4-hexyl-2-(4-octylphenyl)benzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 4-hexyl-2-(4-octylphenyl)benzoate Traditional Name: 4-hexyl-2-(4-octylphenyl)benzoic acid 5-pyrimidyl ester Formula: C31H40N2O2 MolecularWeight: 472.6615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O2/c1-3-5-7-9-10-12-13-25-15-18-27(19-16-25)30-21-26(14-11-8-6-4-2)17-20-29(30)31(34)35-28-22-32-24-33-23-28/h15-24H,3-14H2,1-2H3