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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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