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

Systemtic Name: 3-[(4-decanoyl-3-methyl-phenyl)methylamino]propyl-methyl-phosphinic acid Openeye Name: 3-[(4-decanoyl-3-methyl-phenyl)methylamino]propyl-methyl-phosphinic acid CAS Name: methyl-[3-[[3-methyl-4-(1-oxodecyl)phenyl]methylamino]propyl]phosphinic acid IUPAC Name: 3-[(4-decanoyl-3-methylphenyl)methylamino]propyl-methylphosphinic acid Traditional Name: 3-[(4-capryl-3-methyl-benzyl)amino]propyl-methyl-phosphinic acid Formula: C22H38NO3P MolecularWeight: 395.515781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38NO3P/c1-4-5-6-7-8-9-10-12-22(24)21-14-13-20(17-19(21)2)18-23-15-11-16-27(3,25)26/h13-14,17,23H,4-12,15-16,18H2,1-3H3,(H,25,26)