[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(furan-2-carbonylamino)propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]propanoic 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] 2-(furan-2-carbonylamino)propanoate Traditional Name: 2-(2-furoylamino)propionic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C(=O)OCC(=O)NC1=CC2=C(C=C1)OCCCO2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H20N2O7/c1-12(20-18(23)15-4-2-7-26-15)19(24)28-11-17(22)21-13-5-6-14-16(10-13)27-9-3-8-25-14/h2,4-7,10,12H,3,8-9,11H2,1H3,(H,20,23)(H,21,22)