3-[[4-[[3-(3,4-dichlorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[3-(3,4-dichlorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[3-(3,4-dichlorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[3-(3,4-dichlorophenyl)-5-[oxo-[3-(trifluoromethyl)anilino]methyl]-1-pyrazolyl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[3-(3,4-dichlorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[3-(3,4-dichlorophenyl)-5-[[3-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]methyl]benzoyl]amino]propionic acid Formula: C28H21Cl2F3N4O4 MolecularWeight: 605.39195

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=NN2CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC(=C(C=C4)Cl)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=NN2CC3=CC=C(C=C3)C(=O)NCCC(=O)O)C4=CC(=C(C=C4)Cl)Cl)C(F)(F)F

InChI

InChI=1S/C28H21Cl2F3N4O4/c29-21-9-8-18(12-22(21)30)23-14-24(27(41)35-20-3-1-2-19(13-20)28(31,32)33)37(36-23)15-16-4-6-17(7-5-16)26(40)34-11-10-25(38)39/h1-9,12-14H,10-11,15H2,(H,34,40)(H,35,41)(H,38,39)