2-azanyl-3-[bis(2-chloroethyl)amino]-2-(phenylcarbonyl)pentanedioic acid

Systemtic Name: 2-azanyl-3-[bis(2-chloroethyl)amino]-2-(phenylcarbonyl)pentanedioic acid Openeye Name: 2-amino-2-benzoyl-3-[bis(2-chloroethyl)amino]pentanedioic acid CAS Name: 2-amino-2-benzoyl-3-[bis(2-chloroethyl)amino]pentanedioic acid IUPAC Name: 2-amino-2-benzoyl-3-[bis(2-chloroethyl)amino]pentanedioic acid Traditional Name: 2-amino-2-benzoyl-3-[bis(2-chloroethyl)amino]glutaric acid Formula: C16H20Cl2N2O5 MolecularWeight: 391.2464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C(CC(=O)O)N(CCCl)CCCl)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(CC(=O)O)N(CCCl)CCCl)(C(=O)O)N

InChI

InChI=1S/C16H20Cl2N2O5/c17-6-8-20(9-7-18)12(10-13(21)22)16(19,15(24)25)14(23)11-4-2-1-3-5-11/h1-5,12H,6-10,19H2,(H,21,22)(H,24,25)