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

Systemtic Name: hex-1-ynyl 4-(5-hexylpyrimidin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: hex-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 hex-1-ynyl ester IUPAC Name: hex-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 hex-1-ynyl ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3/c1-4-6-8-10-12-19-17-25-22(26-18-19)20-13-14-24(3,21(27)16-20)23(28)29-15-11-9-7-5-2/h13-14,16-18H,4-10,12H2,1-3H3