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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(tert-butoxycarbonylamino)benzoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic 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]benzoate Traditional Name: 3-(tert-butoxycarbonylamino)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C21H22ClNO6/c1-21(2,3)29-20(25)23-17-6-4-5-13(9-17)19(24)27-11-15-8-16(22)7-14-10-26-12-28-18(14)15/h4-9H,10-12H2,1-3H3,(H,23,25)