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

Systemtic Name: heptyl 4-(5-hexylpyrimidin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1(C=CC(=CC1=O)C2=NC=C(C=N2)CCCCCC)C

Isomeric SMILES

CCCCCCCOC(=O)C1(C=CC(=CC1=O)C2=NC=C(C=N2)CCCCCC)C

InChI

InChI=1S/C25H36N2O3/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,4-13,16H2,1-3H3