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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC=CC3

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC=CC3

InChI

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