2-azanyl-3-[3,5-bis(chloranyl)-4-[[3-(4-oxidanylphenoxy)phenyl]methoxy]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,5-bis(chloranyl)-4-[[3-(4-oxidanylphenoxy)phenyl]methoxy]phenyl]propanoic acid Openeye Name: 2-amino-3-[3,5-dichloro-4-[[3-(4-hydroxyphenoxy)phenyl]methoxy]phenyl]propanoic acid CAS Name: 2-amino-3-[3,5-dichloro-4-[[3-(4-hydroxyphenoxy)phenyl]methoxy]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3,5-dichloro-4-[[3-(4-hydroxyphenoxy)phenyl]methoxy]phenyl]propanoic acid Traditional Name: 2-amino-3-[3,5-dichloro-4-[3-(4-hydroxyphenoxy)benzyl]oxy-phenyl]propionic acid Formula: C22H19Cl2NO5 MolecularWeight: 448.29596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=C(C=C2)O)COC3=C(C=C(C=C3Cl)CC(C(=O)O)N)Cl

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)O)COC3=C(C=C(C=C3Cl)CC(C(=O)O)N)Cl

InChI

InChI=1S/C22H19Cl2NO5/c23-18-9-14(11-20(25)22(27)28)10-19(24)21(18)29-12-13-2-1-3-17(8-13)30-16-6-4-15(26)5-7-16/h1-10,20,26H,11-12,25H2,(H,27,28)