3-[(4-decanoyl-3-methyl-phenyl)methylamino]propylphosphonic acid

Systemtic Name: 3-[(4-decanoyl-3-methyl-phenyl)methylamino]propylphosphonic acid Openeye Name: 3-[(4-decanoyl-3-methyl-phenyl)methylamino]propylphosphonic acid CAS Name: 3-[[3-methyl-4-(1-oxodecyl)phenyl]methylamino]propylphosphonic acid IUPAC Name: 3-[(4-decanoyl-3-methylphenyl)methylamino]propylphosphonic acid Traditional Name: 3-[(4-capryl-3-methyl-benzyl)amino]propylphosphonic acid Formula: C21H36NO4P MolecularWeight: 397.488601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)C1=C(C=C(C=C1)CNCCCP(=O)(O)O)C

Isomeric SMILES

CCCCCCCCCC(=O)C1=C(C=C(C=C1)CNCCCP(=O)(O)O)C

InChI

InChI=1S/C21H36NO4P/c1-3-4-5-6-7-8-9-11-21(23)20-13-12-19(16-18(20)2)17-22-14-10-15-27(24,25)26/h12-13,16,22H,3-11,14-15,17H2,1-2H3,(H2,24,25,26)