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

Systemtic Name: pyrimidin-5-yl 4-hexyl-2-(4-nonylphenyl)benzoate Openeye Name: pyrimidin-5-yl 4-hexyl-2-(4-nonylphenyl)benzoate CAS Name: 4-hexyl-2-(4-nonylphenyl)benzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 4-hexyl-2-(4-nonylphenyl)benzoate Traditional Name: 4-hexyl-2-(4-nonylphenyl)benzoic acid 5-pyrimidyl ester Formula: C32H42N2O2 MolecularWeight: 486.68808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCC)C(=O)OC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCC)C(=O)OC3=CN=CN=C3

InChI

InChI=1S/C32H42N2O2/c1-3-5-7-9-10-11-13-14-26-16-19-28(20-17-26)31-22-27(15-12-8-6-4-2)18-21-30(31)32(35)36-29-23-33-25-34-24-29/h16-25H,3-15H2,1-2H3