[4-(5-heptylpyrimidin-2-yl)phenyl] 4-hexoxybenzoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-hexoxybenzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C30H38N2O3 MolecularWeight: 474.63432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCC

InChI

InChI=1S/C30H38N2O3/c1-3-5-7-9-10-12-24-22-31-29(32-23-24)25-13-19-28(20-14-25)35-30(33)26-15-17-27(18-16-26)34-21-11-8-6-4-2/h13-20,22-23H,3-12,21H2,1-2H3