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

Systemtic Name: octyl 4-(5-hexylpyridin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1(C=CC(=CC1=O)C2=NC=C(C=C2)CCCCCC)C

Isomeric SMILES

CCCCCCCCOC(=O)C1(C=CC(=CC1=O)C2=NC=C(C=C2)CCCCCC)C

InChI

InChI=1S/C27H39NO3/c1-4-6-8-10-11-13-19-31-26(30)27(3)18-17-23(20-25(27)29)24-16-15-22(21-28-24)14-12-9-7-5-2/h15-18,20-21H,4-14,19H2,1-3H3