2-aminocarbonyl-4-[[bis(2-chloroethyl)amino-phenoxycarbonyloxy-phenyl-methyl]amino]pentanedioic acid

Systemtic Name: 2-aminocarbonyl-4-[[bis(2-chloroethyl)amino-phenoxycarbonyloxy-phenyl-methyl]amino]pentanedioic acid Openeye Name: 2-[[bis(2-chloroethyl)amino-phenoxycarbonyloxy-phenyl-methyl]amino]-4-carbamoyl-pentanedioic acid CAS Name: 2-[[bis(2-chloroethyl)amino-[oxo(phenoxy)methoxy]-phenylmethyl]amino]-4-carbamoylpentanedioic acid IUPAC Name: 2-[[bis(2-chloroethyl)amino-phenoxycarbonyloxy-phenylmethyl]amino]-4-carbamoylpentanedioic acid Traditional Name: 2-[[bis(2-chloroethyl)amino-carbophenoxyoxy-phenyl-methyl]amino]-4-carbamoyl-glutaric acid Formula: C24H27Cl2N3O8 MolecularWeight: 556.39248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27Cl2N3O8/c25-11-13-29(14-12-26)24(16-7-3-1-4-8-16,37-23(35)36-17-9-5-2-6-10-17)28-19(22(33)34)15-18(20(27)30)21(31)32/h1-10,18-19,28H,11-15H2,(H2,27,30)(H,31,32)(H,33,34)