[(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [(1S)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C20H20O6 MolecularWeight: 356.3692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)OC)OC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)OC)OC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H20O6/c1-13(19(21)14-4-7-16(23-2)8-5-14)26-20(22)15-6-9-17-18(12-15)25-11-3-10-24-17/h4-9,12-13H,3,10-11H2,1-2H3/t13-/m0/s1