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

Systemtic Name: pyrimidin-5-yl 2-(4-hexylphenyl)-4-octyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-hexylphenyl)-4-octyl-benzoate CAS Name: 2-(4-hexylphenyl)-4-octylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-hexylphenyl)-4-octylbenzoate Traditional Name: 2-(4-hexylphenyl)-4-octyl-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)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCCC

InChI

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