3-[[4-(dihexylcarbamoyl)phenyl]methylamino]propylphosphonic acid

Systemtic Name: 3-[[4-(dihexylcarbamoyl)phenyl]methylamino]propylphosphonic acid Openeye Name: 3-[[4-(dihexylcarbamoyl)phenyl]methylamino]propylphosphonic acid CAS Name: 3-[[4-[(dihexylamino)-oxomethyl]phenyl]methylamino]propylphosphonic acid IUPAC Name: 3-[[4-(dihexylcarbamoyl)phenyl]methylamino]propylphosphonic acid Traditional Name: 3-[[4-(dihexylcarbamoyl)benzyl]amino]propylphosphonic acid Formula: C23H41N2O4P MolecularWeight: 440.556401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)C1=CC=C(C=C1)CNCCCP(=O)(O)O

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)C1=CC=C(C=C1)CNCCCP(=O)(O)O

InChI

InChI=1S/C23H41N2O4P/c1-3-5-7-9-17-25(18-10-8-6-4-2)23(26)22-14-12-21(13-15-22)20-24-16-11-19-30(27,28)29/h12-15,24H,3-11,16-20H2,1-2H3,(H2,27,28,29)