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4-[2-(20-phosphonoicosanoylamino)phenoxy]butanoic acid

4-[2-(20-phosphonoicosanoylamino)phenoxy]butanoic acid

Systemtic Name:4-[2-(20-phosphonoicosanoylamino)phenoxy]butanoic acid
Openeye Name:4-[2-(20-phosphonoicosanoylamino)phenoxy]butanoic acid
CAS Name:4-[2-[(1-oxo-20-phosphonoeicosyl)amino]phenoxy]butanoic acid
IUPAC Name:4-[2-(20-phosphonoicosanoylamino)phenoxy]butanoic acid
Traditional Name:4-[2-(20-phosphonoeicosanoylamino)phenoxy]butyric acid
Formula: C30H52NO7P
MolecularWeight: 569.710141
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCCCCP(=O)(O)O)OCCCC(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCCCCCCCCCCCCCCCCCCP(=O)(O)O)OCCCC(=O)O


InChI

InChI=1S/C30H52NO7P/c32-29(31-27-21-17-18-22-28(27)38-25-20-24-30(33)34)23-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-19-26-39(35,36)37/h17-18,21-22H,1-16,19-20,23-26H2,(H,31,32)(H,33,34)(H2,35,36,37)


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