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

Systemtic Name: 4-[[3-(3-methylphenoxy)-2-oxidanyl-propyl]amino]benzoic acid Openeye Name: 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]benzoic acid CAS Name: 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]benzoic acid IUPAC Name: 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]benzoic acid Traditional Name: 4-[[2-hydroxy-3-(3-methylphenoxy)propyl]amino]benzoic acid Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CNC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CNC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C17H19NO4/c1-12-3-2-4-16(9-12)22-11-15(19)10-18-14-7-5-13(6-8-14)17(20)21/h2-9,15,18-19H,10-11H2,1H3,(H,20,21)