ethyl 4-[(4-ethoxy-3-iodanyl-4-oxidanylidene-butyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate

Systemtic Name: ethyl 4-[(4-ethoxy-3-iodanyl-4-oxidanylidene-butyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate Openeye Name: ethyl 4-[tert-butoxycarbonyl-(4-ethoxy-3-iodo-4-oxo-butyl)amino]benzoate CAS Name: 4-[(4-ethoxy-3-iodo-4-oxobutyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxy-3-iodo-4-oxobutyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoate Traditional Name: 4-[tert-butoxycarbonyl-(4-ethoxy-3-iodo-4-keto-butyl)amino]benzoic acid ethyl ester Formula: C20H28INO6 MolecularWeight: 505.34389

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCC(C(=O)OCC)I)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCC(C(=O)OCC)I)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28INO6/c1-6-26-17(23)14-8-10-15(11-9-14)22(19(25)28-20(3,4)5)13-12-16(21)18(24)27-7-2/h8-11,16H,6-7,12-13H2,1-5H3