diethyl 2-acetamido-2-[[3-[bis(2-chloroethyl)amino]phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[3-[bis(2-chloroethyl)amino]phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[3-[bis(2-chloroethyl)amino]phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[3-[bis(2-chloroethyl)amino]phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[3-[bis(2-chloroethyl)amino]phenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[3-[bis(2-chloroethyl)amino]benzyl]malonic acid diethyl ester Formula: C20H28Cl2N2O5 MolecularWeight: 447.35272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC=C1)N(CCCl)CCCl)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC=C1)N(CCCl)CCCl)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H28Cl2N2O5/c1-4-28-18(26)20(23-15(3)25,19(27)29-5-2)14-16-7-6-8-17(13-16)24(11-9-21)12-10-22/h6-8,13H,4-5,9-12,14H2,1-3H3,(H,23,25)