4-[4-azanyl-3,5-dimethyl-2-(12-phosphonododecanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[4-azanyl-3,5-dimethyl-2-(12-phosphonododecanoylamino)phenoxy]butanoic acid Openeye Name: 4-[4-amino-3,5-dimethyl-2-(12-phosphonododecanoylamino)phenoxy]butanoic acid CAS Name: 4-[4-amino-3,5-dimethyl-2-[(1-oxo-12-phosphonododecyl)amino]phenoxy]butanoic acid IUPAC Name: 4-[4-amino-3,5-dimethyl-2-(12-phosphonododecanoylamino)phenoxy]butanoic acid Traditional Name: 4-[4-amino-3,5-dimethyl-2-(12-phosphonododecanoylamino)phenoxy]butyric acid Formula: C24H41N2O7P MolecularWeight: 500.565301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1N)C)NC(=O)CCCCCCCCCCCP(=O)(O)O)OCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1N)C)NC(=O)CCCCCCCCCCCP(=O)(O)O)OCCCC(=O)O

InChI

InChI=1S/C24H41N2O7P/c1-18-17-20(33-15-12-14-22(28)29)24(19(2)23(18)25)26-21(27)13-10-8-6-4-3-5-7-9-11-16-34(30,31)32/h17H,3-16,25H2,1-2H3,(H,26,27)(H,28,29)(H2,30,31,32)