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4-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]butanoic acid

4-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]butanoic acid

Systemtic Name:4-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]butanoic acid
Openeye Name:4-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]butanoic acid
CAS Name:4-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]butanoic acid
IUPAC Name:4-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]butanoic acid
Traditional Name:4-[4-[2-hydroxyethyl(2-thiocyanatoethyl)amino]phenyl]butyric acid
Formula: C15H20N2O3S
MolecularWeight: 308.3959
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)O)N(CCO)CCSC#N


Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)O)N(CCO)CCSC#N


InChI

InChI=1S/C15H20N2O3S/c16-12-21-11-9-17(8-10-18)14-6-4-13(5-7-14)2-1-3-15(19)20/h4-7,18H,1-3,8-11H2,(H,19,20)


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