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6-oxidanylidene-6-[2-oxidanyl-3-(4-phenylazanylphenoxy)propoxy]hexanoic acid

6-oxidanylidene-6-[2-oxidanyl-3-(4-phenylazanylphenoxy)propoxy]hexanoic acid

Systemtic Name:6-oxidanylidene-6-[2-oxidanyl-3-(4-phenylazanylphenoxy)propoxy]hexanoic acid
Openeye Name:6-[3-(4-anilinophenoxy)-2-hydroxy-propoxy]-6-oxo-hexanoic acid
CAS Name:6-[3-(4-anilinophenoxy)-2-hydroxypropoxy]-6-oxohexanoic acid
IUPAC Name:6-[3-(4-anilinophenoxy)-2-hydroxypropoxy]-6-oxohexanoic acid
Traditional Name:6-[3-(4-anilinophenoxy)-2-hydroxy-propoxy]-6-keto-hexanoic acid
Formula: C21H25NO6
MolecularWeight: 387.4263
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(COC(=O)CCCCC(=O)O)O


Isomeric SMILES

C1=CC=C(C=C1)NC2=CC=C(C=C2)OCC(COC(=O)CCCCC(=O)O)O


InChI

InChI=1S/C21H25NO6/c23-18(15-28-21(26)9-5-4-8-20(24)25)14-27-19-12-10-17(11-13-19)22-16-6-2-1-3-7-16/h1-3,6-7,10-13,18,22-23H,4-5,8-9,14-15H2,(H,24,25)


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