[4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] 5-octyl-2-phenyl-pyrimidine-4-carboxylate

Systemtic Name: [4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] 5-octyl-2-phenyl-pyrimidine-4-carboxylate Openeye Name: [4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] 5-octyl-2-phenyl-pyrimidine-4-carboxylate CAS Name: 5-octyl-2-phenyl-4-pyrimidinecarboxylic acid [4-(4-methylpent-3-enyl)-1-cyclohex-3-enyl] ester IUPAC Name: [4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] 5-octyl-2-phenylpyrimidine-4-carboxylate Traditional Name: 5-octyl-2-phenyl-pyrimidine-4-carboxylic acid [4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl] ester Formula: C31H42N2O2 MolecularWeight: 474.67738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1C(=O)OC2CCC(=CC2)CCC=C(C)C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1C(=O)OC2CCC(=CC2)CCC=C(C)C)C3=CC=CC=C3

InChI

InChI=1S/C31H42N2O2/c1-4-5-6-7-8-10-18-27-23-32-30(26-16-11-9-12-17-26)33-29(27)31(34)35-28-21-19-25(20-22-28)15-13-14-24(2)3/h9,11-12,14,16-17,19,23,28H,4-8,10,13,15,18,20-22H2,1-3H3