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

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-heptylcyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-heptylcyclohex-3-ene-1-carboxylate CAS Name: 4-heptyl-1-cyclohex-3-enecarboxylic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] 4-heptylcyclohex-3-ene-1-carboxylate Traditional Name: 4-heptylcyclohex-3-ene-1-carboxylic acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C34H50N2O3 MolecularWeight: 534.7724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H50N2O3/c1-3-5-7-9-10-11-13-15-25-38-31-23-21-29(22-24-31)33-35-26-32(27-36-33)39-34(37)30-19-17-28(18-20-30)16-14-12-8-6-4-2/h17,21-24,26-27,30H,3-16,18-20,25H2,1-2H3