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

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] 4-methylcyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] 4-methylcyclohex-3-ene-1-carboxylate CAS Name: 4-methyl-1-cyclohex-3-enecarboxylic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] 4-methylcyclohex-3-ene-1-carboxylate Traditional Name: 4-methylcyclohex-3-ene-1-carboxylic acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O2/c1-3-4-5-6-7-8-9-21-12-16-22(17-13-21)25-27-18-24(19-28-25)30-26(29)23-14-10-20(2)11-15-23/h10,12-13,16-19,23H,3-9,11,14-15H2,1-2H3