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

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-octylcyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-octylcyclohex-3-ene-1-carboxylate CAS Name: 4-octyl-1-cyclohex-3-enecarboxylic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-octylcyclohex-3-ene-1-carboxylate Traditional Name: 4-octylcyclohex-3-ene-1-carboxylic acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C35H52N2O3 MolecularWeight: 548.79898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H52N2O3/c1-3-5-7-9-11-12-14-16-26-39-32-24-22-30(23-25-32)34-36-27-33(28-37-34)40-35(38)31-20-18-29(19-21-31)17-15-13-10-8-6-4-2/h18,22-25,27-28,31H,3-17,19-21,26H2,1-2H3