3-[[4-[[5-[1-(4-chlorophenyl)ethyl]-3-[4-(trifluoromethyloxy)phenyl]pyrazol-1-yl]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid

Systemtic Name: 3-[[4-[[5-[1-(4-chlorophenyl)ethyl]-3-[4-(trifluoromethyloxy)phenyl]pyrazol-1-yl]methyl]phenyl]carbonylamino]-2-oxidanyl-propanoic acid Openeye Name: 3-[[4-[[5-[1-(4-chlorophenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]-2-hydroxy-propanoic acid CAS Name: 3-[[[4-[[5-[1-(4-chlorophenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]-1-pyrazolyl]methyl]phenyl]-oxomethyl]amino]-2-hydroxypropanoic acid IUPAC Name: 3-[[4-[[5-[1-(4-chlorophenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]-2-hydroxypropanoic acid Traditional Name: 3-[[4-[[5-[1-(4-chlorophenyl)ethyl]-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]-2-hydroxy-propionic acid Formula: C29H25ClF3N3O5 MolecularWeight: 587.97411

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)C2=CC(=NN2CC3=CC=C(C=C3)C(=O)NCC(C(=O)O)O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

CC(C1=CC=C(C=C1)Cl)C2=CC(=NN2CC3=CC=C(C=C3)C(=O)NCC(C(=O)O)O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C29H25ClF3N3O5/c1-17(19-6-10-22(30)11-7-19)25-14-24(20-8-12-23(13-9-20)41-29(31,32)33)35-36(25)16-18-2-4-21(5-3-18)27(38)34-15-26(37)28(39)40/h2-14,17,26,37H,15-16H2,1H3,(H,34,38)(H,39,40)