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

Systemtic Name: methyl 3,9-dimethoxy-6-oxidanylidene-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylate Openeye Name: methyl 3,9-dimethoxy-6-oxo-7-pentanoyl-1-pentyl-benzo[b][1,4]benzodioxepine-2-carboxylate CAS Name: 3,9-dimethoxy-6-oxo-7-(1-oxopentyl)-1-pentyl-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester IUPAC Name: methyl 3,9-dimethoxy-6-oxo-7-pentanoyl-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylate Traditional Name: 1-amyl-6-keto-3,9-dimethoxy-7-valeryl-benzo[b][1,4]benzodioxepin-2-carboxylic acid methyl ester Formula: C27H32O8 MolecularWeight: 484.53818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32O8/c1-6-8-10-11-17-23(26(29)33-5)20(32-4)15-22-25(17)34-21-14-16(31-3)13-18(19(28)12-9-7-2)24(21)27(30)35-22/h13-15H,6-12H2,1-5H3