2-[[4-[bis(2-chloroethyl)amino]-3-methyl-phenyl]carbamoylamino]pentanedioic acid

Systemtic Name: 2-[[4-[bis(2-chloroethyl)amino]-3-methyl-phenyl]carbamoylamino]pentanedioic acid Openeye Name: 2-[[4-[bis(2-chloroethyl)amino]-3-methyl-phenyl]carbamoylamino]pentanedioic acid CAS Name: 2-[[[4-[bis(2-chloroethyl)amino]-3-methylanilino]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[bis(2-chloroethyl)amino]-3-methylphenyl]carbamoylamino]pentanedioic acid Traditional Name: 2-[[4-[bis(2-chloroethyl)amino]-3-methyl-phenyl]carbamoylamino]glutaric acid Formula: C17H23Cl2N3O5 MolecularWeight: 420.28762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23Cl2N3O5/c1-11-10-12(2-4-14(11)22(8-6-18)9-7-19)20-17(27)21-13(16(25)26)3-5-15(23)24/h2,4,10,13H,3,5-9H2,1H3,(H,23,24)(H,25,26)(H2,20,21,27)