(4-heptylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate

Systemtic Name: (4-heptylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Openeye Name: (4-heptylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrimidinyl)benzoic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-(5-heptylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrimidin-2-yl)benzoic acid (4-heptylcyclohexyl) ester Formula: C31H46N2O2 MolecularWeight: 478.70914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC

InChI

InChI=1S/C31H46N2O2/c1-3-5-7-9-11-13-25-15-21-29(22-16-25)35-31(34)28-19-17-27(18-20-28)30-32-23-26(24-33-30)14-12-10-8-6-4-2/h17-20,23-25,29H,3-16,21-22H2,1-2H3