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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-octylcyclohex-3-ene-1-carboxylate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-octylcyclohex-3-ene-1-carboxylate CAS Name: 4-octyl-1-cyclohex-3-enecarboxylic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-octylcyclohex-3-ene-1-carboxylate Traditional Name: 4-octylcyclohex-3-ene-1-carboxylic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C35H52N2O2 MolecularWeight: 532.79958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H52N2O2/c1-3-5-7-9-11-12-14-16-18-30-27-36-34(37-28-30)31-23-25-33(26-24-31)39-35(38)32-21-19-29(20-22-32)17-15-13-10-8-6-4-2/h19,23-28,32H,3-18,20-22H2,1-2H3