2-[[4-[bis(2-chloroethyl)amino]-3-methyl-phenoxy]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[bis(2-chloroethyl)amino]-3-methyl-phenoxy]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[bis(2-chloroethyl)amino]-3-methyl-phenoxy]carbonylamino]pentanedioic acid CAS Name: 2-[[[4-[bis(2-chloroethyl)amino]-3-methylphenoxy]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[bis(2-chloroethyl)amino]-3-methylphenoxy]carbonylamino]pentanedioic acid Traditional Name: 2-[[4-[bis(2-chloroethyl)amino]-3-methyl-phenoxy]carbonylamino]glutaric acid Formula: C17H22Cl2N2O6 MolecularWeight: 421.27238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)NC(CCC(=O)O)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)NC(CCC(=O)O)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C17H22Cl2N2O6/c1-11-10-12(2-4-14(11)21(8-6-18)9-7-19)27-17(26)20-13(16(24)25)3-5-15(22)23/h2,4,10,13H,3,5-9H2,1H3,(H,20,26)(H,22,23)(H,24,25)