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

Systemtic Name: (2S)-2-[[4-[2-chloroethyl(ethyl)amino]phenoxy]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[2-chloroethyl(ethyl)amino]phenoxy]carbonylamino]pentanedioic acid CAS Name: (2S)-2-[[[4-[2-chloroethyl(ethyl)amino]phenoxy]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[2-chloroethyl(ethyl)amino]phenoxy]carbonylamino]pentanedioic acid Traditional Name: (2S)-2-[[4-[2-chloroethyl(ethyl)amino]phenoxy]carbonylamino]glutaric acid Formula: C16H21ClN2O6 MolecularWeight: 372.80074

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCl)C1=CC=C(C=C1)OC(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCN(CCCl)C1=CC=C(C=C1)OC(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C16H21ClN2O6/c1-2-19(10-9-17)11-3-5-12(6-4-11)25-16(24)18-13(15(22)23)7-8-14(20)21/h3-6,13H,2,7-10H2,1H3,(H,18,24)(H,20,21)(H,22,23)/t13-/m0/s1