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

Systemtic Name: methyl 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl]isonipecotic acid methyl ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H24N2O5/c1-23-18(22)13-5-7-20(8-6-13)12-17(21)19-14-3-4-15-16(11-14)25-10-2-9-24-15/h3-4,11,13H,2,5-10,12H2,1H3,(H,19,21)