3-[4-[6-[(3-naphthalen-1-yloxy-2-oxidanyl-propyl)amino]heptanoylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[6-[(3-naphthalen-1-yloxy-2-oxidanyl-propyl)amino]heptanoylamino]phenyl]propanoic acid Openeye Name: 3-[4-[6-[[2-hydroxy-3-(1-naphthyloxy)propyl]amino]heptanoylamino]phenyl]propanoic acid CAS Name: 3-[4-[[6-[[2-hydroxy-3-(1-naphthalenyloxy)propyl]amino]-1-oxoheptyl]amino]phenyl]propanoic acid IUPAC Name: 3-[4-[6-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]heptanoylamino]phenyl]propanoic acid Traditional Name: 3-[4-[6-[[2-hydroxy-3-(1-naphthoxy)propyl]amino]heptanoylamino]phenyl]propionic acid Formula: C29H36N2O5 MolecularWeight: 492.60654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(=O)NC1=CC=C(C=C1)CCC(=O)O)NCC(COC2=CC=CC3=CC=CC=C32)O

Isomeric SMILES

CC(CCCCC(=O)NC1=CC=C(C=C1)CCC(=O)O)NCC(COC2=CC=CC3=CC=CC=C32)O

InChI

InChI=1S/C29H36N2O5/c1-21(30-19-25(32)20-36-27-11-6-9-23-8-3-4-10-26(23)27)7-2-5-12-28(33)31-24-16-13-22(14-17-24)15-18-29(34)35/h3-4,6,8-11,13-14,16-17,21,25,30,32H,2,5,7,12,15,18-20H2,1H3,(H,31,33)(H,34,35)