[4-(2-methylbutanoyl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate

Systemtic Name: [4-(2-methylbutanoyl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate Openeye Name: [4-(2-methylbutanoyl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate CAS Name: 4-(5-octyl-2-pyrimidinyl)benzoic acid [4-(2-methyl-1-oxobutyl)phenyl] ester IUPAC Name: [4-(2-methylbutanoyl)phenyl] 4-(5-octylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-octylpyrimidin-2-yl)benzoic acid [4-(2-methylbutanoyl)phenyl] ester Formula: C30H36N2O3 MolecularWeight: 472.61844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O3/c1-4-6-7-8-9-10-11-23-20-31-29(32-21-23)25-12-14-26(15-13-25)30(34)35-27-18-16-24(17-19-27)28(33)22(3)5-2/h12-22H,4-11H2,1-3H3