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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4)OC1

InChI

InChI=1S/C21H21NO5/c23-20(22-16-8-9-16)19(14-5-2-1-3-6-14)27-21(24)15-7-10-17-18(13-15)26-12-4-11-25-17/h1-3,5-7,10,13,16,19H,4,8-9,11-12H2,(H,22,23)