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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-(4-ethoxybutyl)cyclohex-3-ene-1-carboxylate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-(4-ethoxybutyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-(4-ethoxybutyl)-1-cyclohex-3-enecarboxylic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-(4-ethoxybutyl)cyclohex-3-ene-1-carboxylate Traditional Name: 4-(4-ethoxybutyl)cyclohex-3-ene-1-carboxylic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C33H48N2O3 MolecularWeight: 520.74582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48N2O3/c1-3-5-6-7-8-9-10-11-15-28-25-34-32(35-26-28)29-20-22-31(23-21-29)38-33(36)30-18-16-27(17-19-30)14-12-13-24-37-4-2/h16,20-23,25-26,30H,3-15,17-19,24H2,1-2H3