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

Systemtic Name: heptyl 4-(5-heptylpyridin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: heptyl 4-(5-heptyl-2-pyridyl)-1-methyl-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 4-(5-heptyl-2-pyridinyl)-1-methyl-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid heptyl ester IUPAC Name: heptyl 4-(5-heptylpyridin-2-yl)-1-methyl-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 4-(5-heptyl-2-pyridyl)-6-keto-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid heptyl ester Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC(=O)C(C=C2)(C)C(=O)OCCCCCCC

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC(=O)C(C=C2)(C)C(=O)OCCCCCCC

InChI

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