[2-(4-decylphenyl)pyrimidin-5-yl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-(4-decylphenyl)pyrimidin-5-yl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-decylphenyl)pyrimidin-5-yl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-(4-methylpent-3-enyl)-1-cyclohex-3-enecarboxylic acid [2-(4-decylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decylphenyl)pyrimidin-5-yl] 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate Traditional Name: 4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid [2-(4-decylphenyl)pyrimidin-5-yl] ester Formula: C33H46N2O2 MolecularWeight: 502.73054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(=CC3)CCC=C(C)C

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(=CC3)CCC=C(C)C

InChI

InChI=1S/C33H46N2O2/c1-4-5-6-7-8-9-10-11-14-27-16-20-29(21-17-27)32-34-24-31(25-35-32)37-33(36)30-22-18-28(19-23-30)15-12-13-26(2)3/h13,16-18,20-21,24-25,30H,4-12,14-15,19,22-23H2,1-3H3