2-[5-[(3,4-dimethylphenyl)methoxycarbonylamino]-2-fluoranyl-phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 2-[5-[(3,4-dimethylphenyl)methoxycarbonylamino]-2-fluoranyl-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-[5-[(3,4-dimethylphenyl)methoxycarbonylamino]-2-fluoro-phenyl]-2-isopropoxy-propanoic acid CAS Name: 2-[5-[[(3,4-dimethylphenyl)methoxy-oxomethyl]amino]-2-fluorophenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 2-[5-[(3,4-dimethylphenyl)methoxycarbonylamino]-2-fluorophenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-[5-[(3,4-dimethylbenzyl)oxycarbonylamino]-2-fluoro-phenyl]-2-isopropoxy-propionic acid Formula: C22H26FNO5 MolecularWeight: 403.443943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)COC(=O)NC2=CC(=C(C=C2)F)C(C)(C(=O)O)OC(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)COC(=O)NC2=CC(=C(C=C2)F)C(C)(C(=O)O)OC(C)C)C

InChI

InChI=1S/C22H26FNO5/c1-13(2)29-22(5,20(25)26)18-11-17(8-9-19(18)23)24-21(27)28-12-16-7-6-14(3)15(4)10-16/h6-11,13H,12H2,1-5H3,(H,24,27)(H,25,26)