2-[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]ethanoate

Systemtic Name: 2-[3-[(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]ethanoate Openeye Name: 2-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]acetate CAS Name: 2-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]acetate IUPAC Name: 2-[3-[(4-acetyl-3-hydroxy-2-propylphenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]acetate Traditional Name: 2-[3-[(4-acetyl-3-hydroxy-2-propyl-phenoxy)methyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-yl]acetate Formula: C23H25O7- MolecularWeight: 413.4404

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2COC3=C(C=C(C=C3)CC(=O)[O-])OC2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC2COC3=C(C=C(C=C3)CC(=O)[O-])OC2

InChI

InChI=1S/C23H26O7/c1-3-4-18-19(8-6-17(14(2)24)23(18)27)28-11-16-12-29-20-7-5-15(10-22(25)26)9-21(20)30-13-16/h5-9,16,27H,3-4,10-13H2,1-2H3,(H,25,26)/p-1