4-[4-[(2-oxidanyl-2-phenyl-ethyl)amino]phenyl]butanoic acid

Systemtic Name: 4-[4-[(2-oxidanyl-2-phenyl-ethyl)amino]phenyl]butanoic acid Openeye Name: 4-[4-[(2-hydroxy-2-phenyl-ethyl)amino]phenyl]butanoic acid CAS Name: 4-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(2-hydroxy-2-phenylethyl)amino]phenyl]butanoic acid Traditional Name: 4-[4-[(2-hydroxy-2-phenyl-ethyl)amino]phenyl]butyric acid Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNC2=CC=C(C=C2)CCCC(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNC2=CC=C(C=C2)CCCC(=O)O)O

InChI

InChI=1S/C18H21NO3/c20-17(15-6-2-1-3-7-15)13-19-16-11-9-14(10-12-16)5-4-8-18(21)22/h1-3,6-7,9-12,17,19-20H,4-5,8,13H2,(H,21,22)