3-[5-[3-(cyanomethyl)phenyl]carbonyl-2-decoxy-phenyl]propanoic acid

Systemtic Name: 3-[5-[3-(cyanomethyl)phenyl]carbonyl-2-decoxy-phenyl]propanoic acid Openeye Name: 3-[5-[3-(cyanomethyl)benzoyl]-2-decoxy-phenyl]propanoic acid CAS Name: 3-[5-[[3-(cyanomethyl)phenyl]-oxomethyl]-2-decoxyphenyl]propanoic acid IUPAC Name: 3-[5-[3-(cyanomethyl)benzoyl]-2-decoxyphenyl]propanoic acid Traditional Name: 3-[5-[3-(cyanomethyl)benzoyl]-2-decoxy-phenyl]propionic acid Formula: C28H35NO4 MolecularWeight: 449.5818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)CC#N)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=CC(=CC=C2)CC#N)CCC(=O)O

InChI

InChI=1S/C28H35NO4/c1-2-3-4-5-6-7-8-9-19-33-26-15-13-25(21-23(26)14-16-27(30)31)28(32)24-12-10-11-22(20-24)17-18-29/h10-13,15,20-21H,2-9,14,16-17,19H2,1H3,(H,30,31)