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

Systemtic Name: pent-1-ynyl 4-(5-hexylpyrimidin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: pent-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 pent-1-ynyl ester IUPAC Name: pent-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 pent-1-ynyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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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#CCCC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-4-6-8-9-11-18-16-24-21(25-17-18)19-12-13-23(3,20(26)15-19)22(27)28-14-10-7-5-2/h12-13,15-17H,4-9,11H2,1-3H3