[2-(4-decoxyphenyl)pyrimidin-5-yl] 4-pentylcyclohex-3-ene-1-carboxylate

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-pentylcyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-pentylcyclohex-3-ene-1-carboxylate CAS Name: 4-pentyl-1-cyclohex-3-enecarboxylic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-pentylcyclohex-3-ene-1-carboxylate Traditional Name: 4-amylcyclohex-3-ene-1-carboxylic acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C32H46N2O3 MolecularWeight: 506.71924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(=CC3)CCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(=CC3)CCCCC

InChI

InChI=1S/C32H46N2O3/c1-3-5-7-8-9-10-11-13-23-36-29-21-19-27(20-22-29)31-33-24-30(25-34-31)37-32(35)28-17-15-26(16-18-28)14-12-6-4-2/h15,19-22,24-25,28H,3-14,16-18,23H2,1-2H3