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

Systemtic Name: octyl 1-methyl-4-(5-octylpyridin-2-yl)-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: octyl 1-methyl-4-(5-octyl-2-pyridyl)-6-oxo-cyclohexa-2,4-diene-1-carboxylate CAS Name: 1-methyl-4-(5-octyl-2-pyridinyl)-6-oxo-1-cyclohexa-2,4-dienecarboxylic acid octyl ester IUPAC Name: octyl 1-methyl-4-(5-octylpyridin-2-yl)-6-oxocyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-keto-1-methyl-4-(5-octyl-2-pyridyl)cyclohexa-2,4-diene-1-carboxylic acid octyl ester Formula: C29H43NO3 MolecularWeight: 453.65662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC(=O)C(C=C2)(C)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC(=O)C(C=C2)(C)C(=O)OCCCCCCCC

InChI

InChI=1S/C29H43NO3/c1-4-6-8-10-12-14-16-24-17-18-26(30-23-24)25-19-20-29(3,27(31)22-25)28(32)33-21-15-13-11-9-7-5-2/h17-20,22-23H,4-16,21H2,1-3H3