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

Systemtic Name: 4-[[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]amino]benzoic acid Openeye Name: 4-[[3-(4-chlorophenoxy)-2-hydroxy-propyl]amino]benzoic acid CAS Name: 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]benzoic acid IUPAC Name: 4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]benzoic acid Traditional Name: 4-[[3-(4-chlorophenoxy)-2-hydroxy-propyl]amino]benzoic acid Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC(COC2=CC=C(C=C2)Cl)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC(COC2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C16H16ClNO4/c17-12-3-7-15(8-4-12)22-10-14(19)9-18-13-5-1-11(2-6-13)16(20)21/h1-8,14,18-19H,9-10H2,(H,20,21)