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

Systemtic Name: heptyl 4-(5-hexylpyridin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C26H37NO3 MolecularWeight: 411.57688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37NO3/c1-4-6-8-10-12-18-30-25(29)26(3)17-16-22(19-24(26)28)23-15-14-21(20-27-23)13-11-9-7-5-2/h14-17,19-20H,4-13,18H2,1-3H3