dipotassium N-[4-(3-phenoxyphenyl)butyl]-2-phosphonato-ethanamide

Systemtic Name: dipotassium N-[4-(3-phenoxyphenyl)butyl]-2-phosphonato-ethanamide Openeye Name: dipotassium N-[4-(3-phenoxyphenyl)butyl]-2-phosphonato-acetamide CAS Name: dipotassium N-[4-(3-phenoxyphenyl)butyl]-2-phosphonatoacetamide IUPAC Name: dipotassium N-[4-(3-phenoxyphenyl)butyl]-2-phosphonatoacetamide Traditional Name: dipotassium N-[4-(3-phenoxyphenyl)butyl]-2-phosphonato-acetamide Formula: C18H20K2NO5P MolecularWeight: 439.525461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCCNC(=O)CP(=O)([O-])[O-].[K+].[K+]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCCNC(=O)CP(=O)([O-])[O-].[K+].[K+]

InChI

InChI=1S/C18H22NO5P.2K/c20-18(14-25(21,22)23)19-12-5-4-7-15-8-6-11-17(13-15)24-16-9-2-1-3-10-16;;/h1-3,6,8-11,13H,4-5,7,12,14H2,(H,19,20)(H2,21,22,23);;/q;2*+1/p-2