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

Systemtic Name: octyl 4-(5-heptylpyridin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: octyl 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 octyl ester IUPAC Name: octyl 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 octyl ester Formula: C28H41NO3 MolecularWeight: 439.63004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H41NO3/c1-4-6-8-10-12-14-20-32-27(31)28(3)19-18-24(21-26(28)30)25-17-16-23(22-29-25)15-13-11-9-7-5-2/h16-19,21-22H,4-15,20H2,1-3H3