[2-(4-decoxyphenyl)pyrimidin-5-yl] 4-(4-ethoxybutyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-(4-ethoxybutyl)cyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-(4-ethoxybutyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-(4-ethoxybutyl)-1-cyclohex-3-enecarboxylic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-(4-ethoxybutyl)cyclohex-3-ene-1-carboxylate Traditional Name: 4-(4-ethoxybutyl)cyclohex-3-ene-1-carboxylic acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C33H48N2O4 MolecularWeight: 536.74522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(=CC3)CCCCOCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC(=CC3)CCCCOCC

InChI

InChI=1S/C33H48N2O4/c1-3-5-6-7-8-9-10-12-24-38-30-21-19-28(20-22-30)32-34-25-31(26-35-32)39-33(36)29-17-15-27(16-18-29)14-11-13-23-37-4-2/h15,19-22,25-26,29H,3-14,16-18,23-24H2,1-2H3