4-[4-[bis(2-chloroethyl)amino]phenyl]-2-bromanyl-butanoic acid

Systemtic Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-2-bromanyl-butanoic acid Openeye Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-2-bromo-butanoic acid CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-2-bromobutanoic acid IUPAC Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-2-bromobutanoic acid Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-2-bromo-butyric acid Formula: C14H18BrCl2NO2 MolecularWeight: 383.10822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C(=O)O)Br)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1CCC(C(=O)O)Br)N(CCCl)CCCl

InChI

InChI=1S/C14H18BrCl2NO2/c15-13(14(19)20)6-3-11-1-4-12(5-2-11)18(9-7-16)10-8-17/h1-2,4-5,13H,3,6-10H2,(H,19,20)