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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic 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)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7/c1-13(2)19(23-20(25)16-5-3-8-28-16)21(26)30-12-18(24)22-14-6-7-15-17(11-14)29-10-4-9-27-15/h3,5-8,11,13,19H,4,9-10,12H2,1-2H3,(H,22,24)(H,23,25)