ditert-butyl 2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]propanedioate

Systemtic Name: ditert-butyl 2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]propanedioate Openeye Name: ditert-butyl 2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]propanedioate CAS Name: 2-[[[4-[bis(2-chloroethyl)amino]phenoxy]-oxomethyl]amino]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]propanedioate Traditional Name: 2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]malonic acid ditert-butyl ester Formula: C22H32Cl2N2O6 MolecularWeight: 491.40528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)NC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)NC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C22H32Cl2N2O6/c1-21(2,3)31-18(27)17(19(28)32-22(4,5)6)25-20(29)30-16-9-7-15(8-10-16)26(13-11-23)14-12-24/h7-10,17H,11-14H2,1-6H3,(H,25,29)