4-[5-methyl-2-(10-phosphonodecanoylamino)pyridin-3-yl]oxybutanoic acid

Systemtic Name: 4-[5-methyl-2-(10-phosphonodecanoylamino)pyridin-3-yl]oxybutanoic acid Openeye Name: 4-[[5-methyl-2-(10-phosphonodecanoylamino)-3-pyridyl]oxy]butanoic acid CAS Name: 4-[[5-methyl-2-[(1-oxo-10-phosphonodecyl)amino]-3-pyridinyl]oxy]butanoic acid IUPAC Name: 4-[5-methyl-2-(10-phosphonodecanoylamino)pyridin-3-yl]oxybutanoic acid Traditional Name: 4-[[5-methyl-2-(10-phosphonodecanoylamino)-3-pyridyl]oxy]butyric acid Formula: C20H33N2O7P MolecularWeight: 444.458981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)NC(=O)CCCCCCCCCP(=O)(O)O)OCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(N=C1)NC(=O)CCCCCCCCCP(=O)(O)O)OCCCC(=O)O

InChI

InChI=1S/C20H33N2O7P/c1-16-14-17(29-12-9-11-19(24)25)20(21-15-16)22-18(23)10-7-5-3-2-4-6-8-13-30(26,27)28/h14-15H,2-13H2,1H3,(H,24,25)(H,21,22,23)(H2,26,27,28)