[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-phenylpropanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-ethyl] 3-phenylpropanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-ethyl] ester Formula: C20H20O5 MolecularWeight: 340.3698

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)COC(=O)CCC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)COC(=O)CCC3=CC=CC=C3)OC1

InChI

InChI=1S/C20H20O5/c21-17(14-25-20(22)10-7-15-5-2-1-3-6-15)16-8-9-18-19(13-16)24-12-4-11-23-18/h1-3,5-6,8-9,13H,4,7,10-12,14H2