hept-1-ynyl 4-(5-hexylpyrimidin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: hept-1-ynyl 4-(5-hexylpyrimidin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hept-1-ynyl 4-(5-hexylpyrimidin-2-yl)-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-(5-hexyl-2-pyrimidinyl)-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid hept-1-ynyl ester IUPAC Name: hept-1-ynyl 4-(5-hexylpyrimidin-2-yl)-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-(5-hexylpyrimidin-2-yl)-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid hept-1-ynyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC(=O)C(C=C2)(C)C(=O)OC#CCCCCC

InChI

InChI=1S/C25H32N2O3/c1-4-6-8-10-12-16-30-24(29)25(3)15-14-21(17-22(25)28)23-26-18-20(19-27-23)13-11-9-7-5-2/h14-15,17-19H,4-11,13H2,1-3H3