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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-phenoxypropanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-phenoxypropanoate CAS Name: 2-phenoxypropanoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 2-phenoxypropanoate Traditional Name: 2-phenoxypropionic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCCO2)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCCO2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO6/c1-14(27-16-6-3-2-4-7-16)20(23)26-13-19(22)21-15-8-9-17-18(12-15)25-11-5-10-24-17/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,21,22)