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

Systemtic Name: 4-[4-[bis(2-chloranylpropyl)amino]phenyl]butanoic acid Openeye Name: 4-[4-[bis(2-chloropropyl)amino]phenyl]butanoic acid CAS Name: 4-[4-[bis(2-chloropropyl)amino]phenyl]butanoic acid IUPAC Name: 4-[4-[bis(2-chloropropyl)amino]phenyl]butanoic acid Traditional Name: 4-[4-[bis(2-chloropropyl)amino]phenyl]butyric acid Formula: C16H23Cl2NO2 MolecularWeight: 332.26532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(CC(C)Cl)C1=CC=C(C=C1)CCCC(=O)O)Cl

Isomeric SMILES

CC(CN(CC(C)Cl)C1=CC=C(C=C1)CCCC(=O)O)Cl

InChI

InChI=1S/C16H23Cl2NO2/c1-12(17)10-19(11-13(2)18)15-8-6-14(7-9-15)4-3-5-16(20)21/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,20,21)