3-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]benzoate

Systemtic Name: 3-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]benzoate Openeye Name: 3-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]benzoate CAS Name: 3-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]benzoate IUPAC Name: 3-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]benzoate Traditional Name: 3-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]benzoate Formula: C16H16NO4- MolecularWeight: 286.30254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CNC2=CC=CC(=C2)C(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC[C@H](CNC2=CC=CC(=C2)C(=O)[O-])O

InChI

InChI=1S/C16H17NO4/c18-14(11-21-15-7-2-1-3-8-15)10-17-13-6-4-5-12(9-13)16(19)20/h1-9,14,17-18H,10-11H2,(H,19,20)/p-1/t14-/m0/s1