2-[(1-oxidanyl-3-phenyl-butyl)amino]benzoate

Systemtic Name: 2-[(1-oxidanyl-3-phenyl-butyl)amino]benzoate Openeye Name: 2-[(1-hydroxy-3-phenyl-butyl)amino]benzoate CAS Name: 2-[(1-hydroxy-3-phenylbutyl)amino]benzoate IUPAC Name: 2-[(1-hydroxy-3-phenylbutyl)amino]benzoate Traditional Name: 2-[(1-hydroxy-3-phenyl-butyl)amino]benzoate Formula: C17H18NO3- MolecularWeight: 284.32972

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(NC1=CC=CC=C1C(=O)[O-])O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(NC1=CC=CC=C1C(=O)[O-])O)C2=CC=CC=C2

InChI

InChI=1S/C17H19NO3/c1-12(13-7-3-2-4-8-13)11-16(19)18-15-10-6-5-9-14(15)17(20)21/h2-10,12,16,18-19H,11H2,1H3,(H,20,21)/p-1