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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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