[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NC1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NC1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C20H28N2O7/c1-20(2,3)29-19(25)21-9-4-6-18(24)28-13-17(23)22-14-7-8-15-16(12-14)27-11-5-10-26-15/h7-8,12H,4-6,9-11,13H2,1-3H3,(H,21,25)(H,22,23)