2-[[4-[3-(phenethylcarbamoylamino)propoxy]phenyl]methyl]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[3-(phenethylcarbamoylamino)propoxy]phenyl]methyl]-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-[4-[3-(phenethylcarbamoylamino)propoxy]phenyl]propanoic acid CAS Name: 2-[[4-[3-[[oxo-(phenethylamino)methyl]amino]propoxy]phenyl]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[4-[3-(phenethylcarbamoylamino)propoxy]phenyl]propanoic acid Traditional Name: 2-benzyl-3-[4-[3-(phenethylcarbamoylamino)propoxy]phenyl]propionic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)NCCCOC2=CC=C(C=C2)CC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)NCCCOC2=CC=C(C=C2)CC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H32N2O4/c31-27(32)25(20-23-10-5-2-6-11-23)21-24-12-14-26(15-13-24)34-19-7-17-29-28(33)30-18-16-22-8-3-1-4-9-22/h1-6,8-15,25H,7,16-21H2,(H,31,32)(H2,29,30,33)