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

Systemtic Name: 3-[[4-(4-phenylbutylcarbamoyl)phenyl]methylamino]propylphosphonic acid Openeye Name: 3-[[4-(4-phenylbutylcarbamoyl)phenyl]methylamino]propylphosphonic acid CAS Name: 3-[[4-[oxo-(4-phenylbutylamino)methyl]phenyl]methylamino]propylphosphonic acid IUPAC Name: 3-[[4-(4-phenylbutylcarbamoyl)phenyl]methylamino]propylphosphonic acid Traditional Name: 3-[[4-(4-phenylbutylcarbamoyl)benzyl]amino]propylphosphonic acid Formula: C21H29N2O4P MolecularWeight: 404.439721

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C2=CC=C(C=C2)CNCCCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C2=CC=C(C=C2)CNCCCP(=O)(O)O

InChI

InChI=1S/C21H29N2O4P/c24-21(23-15-5-4-9-18-7-2-1-3-8-18)20-12-10-19(11-13-20)17-22-14-6-16-28(25,26)27/h1-3,7-8,10-13,22H,4-6,9,14-17H2,(H,23,24)(H2,25,26,27)