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

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] cyclohex-3-ene-1-carboxylate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] cyclohex-3-ene-1-carboxylate CAS Name: 1-cyclohex-3-enecarboxylic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] cyclohex-3-ene-1-carboxylate Traditional Name: cyclohex-3-ene-1-carboxylic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC=CC3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)C3CCC=CC3

InChI

InChI=1S/C25H32N2O3/c1-2-3-4-5-6-10-17-29-22-15-13-20(14-16-22)24-26-18-23(19-27-24)30-25(28)21-11-8-7-9-12-21/h7-8,13-16,18-19,21H,2-6,9-12,17H2,1H3