[2-(4-octylphenyl)pyrimidin-5-yl] cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] cyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] cyclohex-3-ene-1-carboxylate CAS Name: 1-cyclohex-3-enecarboxylic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] cyclohex-3-ene-1-carboxylate Traditional Name: cyclohex-3-ene-1-carboxylic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C25H32N2O2 MolecularWeight: 392.53378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC=CC3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC=CC3

InChI

InChI=1S/C25H32N2O2/c1-2-3-4-5-6-8-11-20-14-16-21(17-15-20)24-26-18-23(19-27-24)29-25(28)22-12-9-7-10-13-22/h7,9,14-19,22H,2-6,8,10-13H2,1H3