3-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoate

Systemtic Name: 3-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoate Openeye Name: 3-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoate CAS Name: 3-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoate IUPAC Name: 3-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoate Traditional Name: 3-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propionate Formula: C13H15O5- MolecularWeight: 251.2552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1CCC(=O)[O-])OCCCO2

Isomeric SMILES

COC1=CC2=C(C=C1CCC(=O)[O-])OCCCO2

InChI

InChI=1S/C13H16O5/c1-16-10-8-12-11(17-5-2-6-18-12)7-9(10)3-4-13(14)15/h7-8H,2-6H2,1H3,(H,14,15)/p-1