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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-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-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)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-methylbutylamino)ethyl] ester Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C17H23NO5/c1-3-5-12(2)18-16(19)11-23-17(20)13-6-7-14-15(10-13)22-9-4-8-21-14/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H,18,19)