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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-methylcyclohex-3-ene-1-carboxylate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-methylcyclohex-3-ene-1-carboxylate CAS Name: 4-methyl-1-cyclohex-3-enecarboxylic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-methylcyclohex-3-ene-1-carboxylate Traditional Name: 4-methylcyclohex-3-ene-1-carboxylic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C28H38N2O2 MolecularWeight: 434.61352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N2O2/c1-3-4-5-6-7-8-9-10-11-23-20-29-27(30-21-23)24-16-18-26(19-17-24)32-28(31)25-14-12-22(2)13-15-25/h12,16-21,25H,3-11,13-15H2,1-2H3