[2-oxidanylidene-2-(1-phenylethylamino)ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1-phenylethylamino)ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-oxo-2-(1-phenylethylamino)ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-oxo-2-(1-phenylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-phenylethylamino)ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-keto-2-(1-phenylethylamino)ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO5/c1-14(15-6-3-2-4-7-15)21-19(22)13-26-20(23)16-8-9-17-18(12-16)25-11-5-10-24-17/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,21,22)