ethyl 2-methyl-2-[3-[[2-(2-pyrazol-1-ylethanoyl)-1,3-dihydroisoindol-5-yl]carbamoyl]-2-[4-(trifluoromethyl)phenyl]phenoxy]propanoate

Systemtic Name: ethyl 2-methyl-2-[3-[[2-(2-pyrazol-1-ylethanoyl)-1,3-dihydroisoindol-5-yl]carbamoyl]-2-[4-(trifluoromethyl)phenyl]phenoxy]propanoate Openeye Name: ethyl 2-methyl-2-[3-[[2-(2-pyrazol-1-ylacetyl)isoindolin-5-yl]carbamoyl]-2-[4-(trifluoromethyl)phenyl]phenoxy]propanoate CAS Name: 2-methyl-2-[3-[oxo-[[2-[1-oxo-2-(1-pyrazolyl)ethyl]-1,3-dihydroisoindol-5-yl]amino]methyl]-2-[4-(trifluoromethyl)phenyl]phenoxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-2-[3-[[2-(2-pyrazol-1-ylacetyl)-1,3-dihydroisoindol-5-yl]carbamoyl]-2-[4-(trifluoromethyl)phenyl]phenoxy]propanoate Traditional Name: 2-methyl-2-[3-[[2-(2-pyrazol-1-ylacetyl)isoindolin-5-yl]carbamoyl]-2-[4-(trifluoromethyl)phenyl]phenoxy]propionic acid ethyl ester Formula: C33H31F3N4O5 MolecularWeight: 620.61825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(CN(C4)C(=O)CN5C=CC=N5)C=C3

Isomeric SMILES

CCOC(=O)C(C)(C)OC1=CC=CC(=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(CN(C4)C(=O)CN5C=CC=N5)C=C3

InChI

InChI=1S/C33H31F3N4O5/c1-4-44-31(43)32(2,3)45-27-8-5-7-26(29(27)21-9-12-24(13-10-21)33(34,35)36)30(42)38-25-14-11-22-18-39(19-23(22)17-25)28(41)20-40-16-6-15-37-40/h5-17H,4,18-20H2,1-3H3,(H,38,42)