2-methyl-N-[3-[4-(2-phenylethynyl)phenoxy]propyl]butanamide

Systemtic Name: 2-methyl-N-[3-[4-(2-phenylethynyl)phenoxy]propyl]butanamide Openeye Name: 2-methyl-N-[3-[4-(2-phenylethynyl)phenoxy]propyl]butanamide CAS Name: 2-methyl-N-[3-[4-(2-phenylethynyl)phenoxy]propyl]butanamide IUPAC Name: 2-methyl-N-[3-[4-(2-phenylethynyl)phenoxy]propyl]butanamide Traditional Name: 2-methyl-N-[3-[4-(2-phenylethynyl)phenoxy]propyl]butyramide Formula: C22H25NO2 MolecularWeight: 335.4394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NCCCOC1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CCC(C)C(=O)NCCCOC1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C22H25NO2/c1-3-18(2)22(24)23-16-7-17-25-21-14-12-20(13-15-21)11-10-19-8-5-4-6-9-19/h4-6,8-9,12-15,18H,3,7,16-17H2,1-2H3,(H,23,24)