pentyl 4-(5-hexylpyridin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: pentyl 4-(5-hexylpyridin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: pentyl 4-(5-hexyl-2-pyridyl)-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-(5-hexyl-2-pyridinyl)-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid pentyl ester IUPAC Name: pentyl 4-(5-hexylpyridin-2-yl)-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-(5-hexyl-2-pyridyl)-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid amyl ester Formula: C24H33NO3 MolecularWeight: 383.52372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2=CC(=O)C(C=C2)(C)C(=O)OCCCCC

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2=CC(=O)C(C=C2)(C)C(=O)OCCCCC

InChI

InChI=1S/C24H33NO3/c1-4-6-8-9-11-19-12-13-21(25-18-19)20-14-15-24(3,22(26)17-20)23(27)28-16-10-7-5-2/h12-15,17-18H,4-11,16H2,1-3H3