4-[3-chloranyl-1-phenyl-1-(5-propylpyrimidin-2-yl)octoxy]benzoate

Systemtic Name: 4-[3-chloranyl-1-phenyl-1-(5-propylpyrimidin-2-yl)octoxy]benzoate Openeye Name: 4-[3-chloro-1-phenyl-1-(5-propylpyrimidin-2-yl)octoxy]benzoate CAS Name: 4-[3-chloro-1-phenyl-1-(5-propyl-2-pyrimidinyl)octoxy]benzoate IUPAC Name: 4-[3-chloro-1-phenyl-1-(5-propylpyrimidin-2-yl)octoxy]benzoate Traditional Name: 4-[3-chloro-1-phenyl-1-(5-propylpyrimidin-2-yl)octoxy]benzoate Formula: C28H32ClN2O3- MolecularWeight: 480.01828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(C1=CC=CC=C1)(C2=NC=C(C=N2)CCC)OC3=CC=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

CCCCCC(CC(C1=CC=CC=C1)(C2=NC=C(C=N2)CCC)OC3=CC=C(C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C28H33ClN2O3/c1-3-5-7-13-24(29)18-28(23-11-8-6-9-12-23,27-30-19-21(10-4-2)20-31-27)34-25-16-14-22(15-17-25)26(32)33/h6,8-9,11-12,14-17,19-20,24H,3-5,7,10,13,18H2,1-2H3,(H,32,33)/p-1