2-[(4-cyanophenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(1-piperidin-1-ylpropan-2-yloxy)phenyl]ethanoic acid

Systemtic Name: 2-[(4-cyanophenyl)amino]-2-[5-ethoxy-2-fluoranyl-3-(1-piperidin-1-ylpropan-2-yloxy)phenyl]ethanoic acid Openeye Name: 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-[1-methyl-2-(1-piperidyl)ethoxy]phenyl]acetic acid CAS Name: 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-[1-(1-piperidinyl)propan-2-yloxy]phenyl]acetic acid IUPAC Name: 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-(1-piperidin-1-ylpropan-2-yloxy)phenyl]acetic acid Traditional Name: 2-(4-cyanoanilino)-2-[5-ethoxy-2-fluoro-3-(1-methyl-2-piperidino-ethoxy)phenyl]acetic acid Formula: C25H30FN3O4 MolecularWeight: 455.521803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)F)OC(C)CN3CCCCC3

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)O)NC2=CC=C(C=C2)C#N)F)OC(C)CN3CCCCC3

InChI

InChI=1S/C25H30FN3O4/c1-3-32-20-13-21(24(25(30)31)28-19-9-7-18(15-27)8-10-19)23(26)22(14-20)33-17(2)16-29-11-5-4-6-12-29/h7-10,13-14,17,24,28H,3-6,11-12,16H2,1-2H3,(H,30,31)