2-[3-chloranyl-4-[1-(4-phenoxy-2-propyl-phenoxy)propylamino]phenyl]ethanoic acid

Systemtic Name: 2-[3-chloranyl-4-[1-(4-phenoxy-2-propyl-phenoxy)propylamino]phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-[1-(4-phenoxy-2-propyl-phenoxy)propylamino]phenyl]acetic acid CAS Name: 2-[3-chloro-4-[1-(4-phenoxy-2-propylphenoxy)propylamino]phenyl]acetic acid IUPAC Name: 2-[3-chloro-4-[1-(4-phenoxy-2-propylphenoxy)propylamino]phenyl]acetic acid Traditional Name: 2-[3-chloro-4-[1-(4-phenoxy-2-propyl-phenoxy)propylamino]phenyl]acetic acid Formula: C26H28ClNO4 MolecularWeight: 453.95782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OC(CC)NC3=C(C=C(C=C3)CC(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OC(CC)NC3=C(C=C(C=C3)CC(=O)O)Cl

InChI

InChI=1S/C26H28ClNO4/c1-3-8-19-17-21(31-20-9-6-5-7-10-20)12-14-24(19)32-25(4-2)28-23-13-11-18(15-22(23)27)16-26(29)30/h5-7,9-15,17,25,28H,3-4,8,16H2,1-2H3,(H,29,30)