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

Systemtic Name: pentyl 4-(5-heptylpyridin-2-yl)-1-methyl-6-oxidanylidene-cyclohexa-2,4-diene-1-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C25H35NO3 MolecularWeight: 397.5503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO3/c1-4-6-8-9-10-12-20-13-14-22(26-19-20)21-15-16-25(3,23(27)18-21)24(28)29-17-11-7-5-2/h13-16,18-19H,4-12,17H2,1-3H3