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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-[(tert-butoxycarbonylamino)methyl]benzoate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

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