ditert-butyl 5-[2-(4-iodophenyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: ditert-butyl 5-[2-(4-iodophenyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate Openeye Name: ditert-butyl 5-[2-(4-iodophenyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(4-iodophenyl)ethylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 5-[2-(4-iodophenyl)ethylcarbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(4-iodophenyl)ethylcarbamoylamino]benzene-1,3-dicarboxylic acid ditert-butyl ester Formula: C25H31IN2O5 MolecularWeight: 566.42851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=CC(=C1)NC(=O)NCCC2=CC=C(C=C2)I)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=CC(=C1)NC(=O)NCCC2=CC=C(C=C2)I)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31IN2O5/c1-24(2,3)32-21(29)17-13-18(22(30)33-25(4,5)6)15-20(14-17)28-23(31)27-12-11-16-7-9-19(26)10-8-16/h7-10,13-15H,11-12H2,1-6H3,(H2,27,28,31)