(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-(tert-butoxycarbonylamino)benzoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-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=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

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