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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (2S)-2-(furan-2-ylcarbonylamino)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl (2S)-2-(furan-2-carbonylamino)propanoate CAS Name: (2S)-2-[[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 (2S)-2-(furan-2-carbonylamino)propanoate Traditional Name: (2S)-2-(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:

CC(C(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2)NC(=O)C3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC2=C(C(=C1)Cl)OCCCO2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H18ClNO6/c1-11(20-17(21)14-4-2-5-23-14)18(22)26-10-12-8-13(19)16-15(9-12)24-6-3-7-25-16/h2,4-5,8-9,11H,3,6-7,10H2,1H3,(H,20,21)/t11-/m0/s1