[4-(5-decylpyrimidin-2-yl)phenyl] 4-pentylcyclohex-3-ene-1-carboxylate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-pentylcyclohex-3-ene-1-carboxylate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-pentylcyclohex-3-ene-1-carboxylate CAS Name: 4-pentyl-1-cyclohex-3-enecarboxylic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-pentylcyclohex-3-ene-1-carboxylate Traditional Name: 4-amylcyclohex-3-ene-1-carboxylic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C32H46N2O2 MolecularWeight: 490.71984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(=CC3)CCCCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(=CC3)CCCCC

InChI

InChI=1S/C32H46N2O2/c1-3-5-7-8-9-10-11-13-15-27-24-33-31(34-25-27)28-20-22-30(23-21-28)36-32(35)29-18-16-26(17-19-29)14-12-6-4-2/h16,20-25,29H,3-15,17-19H2,1-2H3