(phenylmethyl) N-[2,2-dimethoxypropylcarbamoyl-[(3-iodanyl-4-oxidanyl-phenyl)methyl]amino]carbamate

Systemtic Name: (phenylmethyl) N-[2,2-dimethoxypropylcarbamoyl-[(3-iodanyl-4-oxidanyl-phenyl)methyl]amino]carbamate Openeye Name: benzyl N-[2,2-dimethoxypropylcarbamoyl-[(4-hydroxy-3-iodo-phenyl)methyl]amino]carbamate CAS Name: N-[[(2,2-dimethoxypropylamino)-oxomethyl]-[(4-hydroxy-3-iodophenyl)methyl]amino]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2,2-dimethoxypropylcarbamoyl-[(4-hydroxy-3-iodophenyl)methyl]amino]carbamate Traditional Name: N-[2,2-dimethoxypropylcarbamoyl-(4-hydroxy-3-iodo-benzyl)amino]carbamic acid benzyl ester Formula: C21H26IN3O6 MolecularWeight: 543.35211

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)N(CC1=CC(=C(C=C1)O)I)NC(=O)OCC2=CC=CC=C2)(OC)OC

Isomeric SMILES

CC(CNC(=O)N(CC1=CC(=C(C=C1)O)I)NC(=O)OCC2=CC=CC=C2)(OC)OC

InChI

InChI=1S/C21H26IN3O6/c1-21(29-2,30-3)14-23-19(27)25(12-16-9-10-18(26)17(22)11-16)24-20(28)31-13-15-7-5-4-6-8-15/h4-11,26H,12-14H2,1-3H3,(H,23,27)(H,24,28)