4-[(2-oxidanyl-3-phenoxy-propyl)amino]benzoic acid

Systemtic Name: 4-[(2-oxidanyl-3-phenoxy-propyl)amino]benzoic acid Openeye Name: 4-[(2-hydroxy-3-phenoxy-propyl)amino]benzoic acid CAS Name: 4-[(2-hydroxy-3-phenoxypropyl)amino]benzoic acid IUPAC Name: 4-[(2-hydroxy-3-phenoxypropyl)amino]benzoic acid Traditional Name: 4-[(2-hydroxy-3-phenoxy-propyl)amino]benzoic acid Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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