2-phenoxy-3-[3-(4-phenoxybutoxy)phenyl]-2-(propanoylamino)butanoic acid

Systemtic Name: 2-phenoxy-3-[3-(4-phenoxybutoxy)phenyl]-2-(propanoylamino)butanoic acid Openeye Name: 2-phenoxy-3-[3-(4-phenoxybutoxy)phenyl]-2-(propanoylamino)butanoic acid CAS Name: 2-(1-oxopropylamino)-2-phenoxy-3-[3-(4-phenoxybutoxy)phenyl]butanoic acid IUPAC Name: 2-phenoxy-3-[3-(4-phenoxybutoxy)phenyl]-2-(propanoylamino)butanoic acid Traditional Name: 2-phenoxy-3-[3-(4-phenoxybutoxy)phenyl]-2-propionamido-butyric acid Formula: C29H33NO6 MolecularWeight: 491.57542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C(C)C1=CC(=CC=C1)OCCCCOC2=CC=CC=C2)(C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC(C(C)C1=CC(=CC=C1)OCCCCOC2=CC=CC=C2)(C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C29H33NO6/c1-3-27(31)30-29(28(32)33,36-25-16-8-5-9-17-25)22(2)23-13-12-18-26(21-23)35-20-11-10-19-34-24-14-6-4-7-15-24/h4-9,12-18,21-22H,3,10-11,19-20H2,1-2H3,(H,30,31)(H,32,33)