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

Systemtic Name: pyrimidin-5-yl 4-heptyl-2-(4-hexylphenyl)benzoate Openeye Name: pyrimidin-5-yl 4-heptyl-2-(4-hexylphenyl)benzoate CAS Name: 4-heptyl-2-(4-hexylphenyl)benzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 4-heptyl-2-(4-hexylphenyl)benzoate Traditional Name: 4-heptyl-2-(4-hexylphenyl)benzoic acid 5-pyrimidyl ester Formula: C30H38N2O2 MolecularWeight: 458.63492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCCC

InChI

InChI=1S/C30H38N2O2/c1-3-5-7-9-11-13-25-16-19-28(30(33)34-27-21-31-23-32-22-27)29(20-25)26-17-14-24(15-18-26)12-10-8-6-4-2/h14-23H,3-13H2,1-2H3