2-[[(hexadecylamino)-phenyl-methyl]-oxidanyl-phosphoryl]oxy-2-methyl-propanoic acid

Systemtic Name: 2-[[(hexadecylamino)-phenyl-methyl]-oxidanyl-phosphoryl]oxy-2-methyl-propanoic acid Openeye Name: 2-[[(hexadecylamino)-phenyl-methyl]-hydroxy-phosphoryl]oxy-2-methyl-propanoic acid CAS Name: 2-[[(hexadecylamino)-phenylmethyl]-hydroxyphosphoryl]oxy-2-methylpropanoic acid IUPAC Name: 2-[[(hexadecylamino)-phenylmethyl]-hydroxyphosphoryl]oxy-2-methylpropanoic acid Traditional Name: 2-[[(cetylamino)-phenyl-methyl]-hydroxy-phosphoryl]oxy-2-methyl-propionic acid Formula: C27H48NO5P MolecularWeight: 497.647481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(C1=CC=CC=C1)P(=O)(O)OC(C)(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(C1=CC=CC=C1)P(=O)(O)OC(C)(C)C(=O)O

InChI

InChI=1S/C27H48NO5P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28-25(24-21-18-17-19-22-24)34(31,32)33-27(2,3)26(29)30/h17-19,21-22,25,28H,4-16,20,23H2,1-3H3,(H,29,30)(H,31,32)