3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[2-(2-hydroxyethyl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[2-(2-hydroxyethyl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[2-(2-hydroxyethyl)benzoyl]amino]propanoic acid CAS Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[[2-(2-hydroxyethyl)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[2-(2-hydroxyethyl)benzoyl]amino]propanoic acid Traditional Name: 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[[2-(2-hydroxyethyl)benzoyl]amino]propionic acid Formula: C22H26Cl2N2O4 MolecularWeight: 453.35884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCO)C(=O)NC(CC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCO)C(=O)NC(CC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)O

InChI

InChI=1S/C22H26Cl2N2O4/c23-10-12-26(13-11-24)18-7-5-16(6-8-18)15-20(22(29)30)25-21(28)19-4-2-1-3-17(19)9-14-27/h1-8,20,27H,9-15H2,(H,25,28)(H,29,30)