[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(1,2-dimethylpropylamino)-2-oxo-ethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(3-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutan-2-ylamino)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid [2-(1,2-dimethylpropylamino)-2-keto-ethyl] ester Formula: C17H22ClNO5 MolecularWeight: 355.81328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

Isomeric SMILES

CC(C)C(C)NC(=O)COC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2

InChI

InChI=1S/C17H22ClNO5/c1-10(2)11(3)19-15(20)9-24-17(21)12-7-13(18)16-14(8-12)22-5-4-6-23-16/h7-8,10-11H,4-6,9H2,1-3H3,(H,19,20)