2-[2-(methylamino)-1-oxidanyl-ethyl]phenol benzoate

Systemtic Name: 2-[2-(methylamino)-1-oxidanyl-ethyl]phenol benzoate Openeye Name: 2-[1-hydroxy-2-(methylamino)ethyl]phenol benzoate CAS Name: 2-[1-hydroxy-2-(methylamino)ethyl]phenol benzoate IUPAC Name: 2-[1-hydroxy-2-(methylamino)ethyl]phenol benzoate Traditional Name: 2-[1-hydroxy-2-(methylamino)ethyl]phenol benzoate Formula: C16H18NO4- MolecularWeight: 288.31842

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(C1=CC=CC=C1O)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CNCC(C1=CC=CC=C1O)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C9H13NO2.C7H6O2/c1-10-6-9(12)7-4-2-3-5-8(7)11;8-7(9)6-4-2-1-3-5-6/h2-5,9-12H,6H2,1H3;1-5H,(H,8,9)/p-1