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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-4,5-dimethoxybenzoic 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)-4,5-dimethoxybenzoate Traditional Name: 2-(2-furoylamino)-4,5-dimethoxy-benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C25H24N2O9 MolecularWeight: 496.46606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)NC(=O)C4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)NC(=O)C4=CC=CO4)OC

InChI

InChI=1S/C25H24N2O9/c1-31-20-12-16(17(13-21(20)32-2)27-24(29)19-5-3-8-34-19)25(30)36-14-23(28)26-15-6-7-18-22(11-15)35-10-4-9-33-18/h3,5-8,11-13H,4,9-10,14H2,1-2H3,(H,26,28)(H,27,29)