[4-(5-octylpyrimidin-2-yl)phenyl] 4-hept-6-enylcyclohexane-1-carboxylate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-hept-6-enylcyclohexane-1-carboxylate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-hept-6-enylcyclohexanecarboxylate CAS Name: 4-hept-6-enyl-1-cyclohexanecarboxylic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 4-hept-6-enylcyclohexane-1-carboxylate Traditional Name: 4-hept-6-enylcyclohexanecarboxylic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C32H46N2O2 MolecularWeight: 490.71984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCCC=C

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCCC=C

InChI

InChI=1S/C32H46N2O2/c1-3-5-7-9-11-13-15-27-24-33-31(34-25-27)28-20-22-30(23-21-28)36-32(35)29-18-16-26(17-19-29)14-12-10-8-6-4-2/h4,20-26,29H,2-3,5-19H2,1H3