(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H22ClNO6 MolecularWeight: 371.81268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC1=C2C(=CC(=C1)Cl)COCO2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC1=C2C(=CC(=C1)Cl)COCO2

InChI

InChI=1S/C17H22ClNO6/c1-17(2,3)25-16(21)19-5-4-14(20)23-9-12-7-13(18)6-11-8-22-10-24-15(11)12/h6-7H,4-5,8-10H2,1-3H3,(H,19,21)