(2S)-2-[[4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyloxymethyl]phenoxy]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyloxymethyl]phenoxy]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyloxymethyl]phenoxy]carbonylamino]pentanedioic acid CAS Name: (2S)-2-[[[4-[[[4-[bis(2-chloroethyl)amino]phenoxy]-oxomethoxy]methyl]phenoxy]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyloxymethyl]phenoxy]carbonylamino]pentanedioic acid Traditional Name: (2S)-2-[[4-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyloxymethyl]phenoxy]carbonylamino]glutaric acid Formula: C24H26Cl2N2O9 MolecularWeight: 557.37724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)OC2=CC=C(C=C2)N(CCCl)CCCl)OC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1COC(=O)OC2=CC=C(C=C2)N(CCCl)CCCl)OC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C24H26Cl2N2O9/c25-11-13-28(14-12-26)17-3-7-19(8-4-17)37-24(34)35-15-16-1-5-18(6-2-16)36-23(33)27-20(22(31)32)9-10-21(29)30/h1-8,20H,9-15H2,(H,27,33)(H,29,30)(H,31,32)/t20-/m0/s1