(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(furan-2-ylcarbonylamino)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(furan-2-carbonylamino)propanoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]propanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(furan-2-carbonylamino)propanoate Traditional Name: 3-(2-furoylamino)propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H18ClNO6 MolecularWeight: 379.79162

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CCNC(=O)C3=CC=CO3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CCNC(=O)C3=CC=CO3)Cl)OC1

InChI

InChI=1S/C18H18ClNO6/c19-13-9-12(10-15-17(13)25-8-2-7-24-15)11-26-16(21)4-5-20-18(22)14-3-1-6-23-14/h1,3,6,9-10H,2,4-5,7-8,11H2,(H,20,22)