methyl 9-methoxy-3-oxidanyl-6-oxidanylidene-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylate

Systemtic Name: methyl 9-methoxy-3-oxidanyl-6-oxidanylidene-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylate Openeye Name: methyl 3-hydroxy-9-methoxy-6-oxo-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylate CAS Name: 3-hydroxy-9-methoxy-6-oxo-7-(1-oxopentyl)-1-pentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-9-methoxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylate Traditional Name: 1-amyl-3-hydroxy-6-keto-9-methoxy-7-valeryl-benzo[b][1,4]benzodioxepin-2-carboxylic acid methyl ester Formula: C26H30O8 MolecularWeight: 470.5116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C2C(=CC(=C1C(=O)OC)O)OC(=O)C3=C(O2)C=C(C=C3C(=O)CCCC)OC

Isomeric SMILES

CCCCCC1=C2C(=CC(=C1C(=O)OC)O)OC(=O)C3=C(O2)C=C(C=C3C(=O)CCCC)OC

InChI

InChI=1S/C26H30O8/c1-5-7-9-10-16-22(25(29)32-4)19(28)14-21-24(16)33-20-13-15(31-3)12-17(18(27)11-8-6-2)23(20)26(30)34-21/h12-14,28H,5-11H2,1-4H3