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

Systemtic Name: [2-(4-methylphenyl)pyrimidin-5-yl] 4-(3-methylbut-2-enyl)cyclohex-3-ene-1-carboxylate Openeye Name: [2-(p-tolyl)pyrimidin-5-yl] 4-(3-methylbut-2-enyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-(3-methylbut-2-enyl)-1-cyclohex-3-enecarboxylic acid [2-(4-methylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-methylphenyl)pyrimidin-5-yl] 4-(3-methylbut-2-enyl)cyclohex-3-ene-1-carboxylate Traditional Name: 4-(3-methylbut-2-enyl)cyclohex-3-ene-1-carboxylic acid [2-(p-tolyl)pyrimidin-5-yl] ester Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(=CC3)CC=C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(=CC3)CC=C(C)C

InChI

InChI=1S/C23H26N2O2/c1-16(2)4-7-18-8-12-20(13-9-18)23(26)27-21-14-24-22(25-15-21)19-10-5-17(3)6-11-19/h4-6,8,10-11,14-15,20H,7,9,12-13H2,1-3H3