3-[[4-[[3-[3,5-bis(chloranyl)phenyl]-5-[5-(trifluoromethyloxy)naphthalen-2-yl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[3-[3,5-bis(chloranyl)phenyl]-5-[5-(trifluoromethyloxy)naphthalen-2-yl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-[5-(trifluoromethoxy)-2-naphthyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[3-(3,5-dichlorophenyl)-5-[5-(trifluoromethoxy)-2-naphthalenyl]-1-pyrazolyl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-[5-(trifluoromethoxy)naphthalen-2-yl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-[5-(trifluoromethoxy)-2-naphthyl]pyrazol-1-yl]methyl]benzoyl]amino]propionic acid Formula: C31H22Cl2F3N3O4 MolecularWeight: 628.42529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)C3=CC(=NN3CC4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=CC(=CC(=C5)Cl)Cl)C(=C1)OC(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CC(=C2)C3=CC(=NN3CC4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=CC(=CC(=C5)Cl)Cl)C(=C1)OC(F)(F)F

InChI

InChI=1S/C31H22Cl2F3N3O4/c32-23-13-22(14-24(33)15-23)26-16-27(21-8-9-25-20(12-21)2-1-3-28(25)43-31(34,35)36)39(38-26)17-18-4-6-19(7-5-18)30(42)37-11-10-29(40)41/h1-9,12-16H,10-11,17H2,(H,37,42)(H,40,41)