3-[[4-[[3-[3,5-bis(chloranyl)phenyl]-5-[7-(trifluoromethyloxy)naphthalen-2-yl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[3-[3,5-bis(chloranyl)phenyl]-5-[7-(trifluoromethyloxy)naphthalen-2-yl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-[7-(trifluoromethoxy)-2-naphthyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[3-(3,5-dichlorophenyl)-5-[7-(trifluoromethoxy)-2-naphthalenyl]-1-pyrazolyl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-[7-(trifluoromethoxy)naphthalen-2-yl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-[7-(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=CC(=CC2=C1C=CC(=C2)OC(F)(F)F)C3=CC(=NN3CC4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=CC(=CC(=C5)Cl)Cl

Isomeric SMILES

C1=CC(=CC2=C1C=CC(=C2)OC(F)(F)F)C3=CC(=NN3CC4=CC=C(C=C4)C(=O)NCCC(=O)O)C5=CC(=CC(=C5)Cl)Cl

InChI

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