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

Systemtic Name: 3-[[4-[[3-(3,4-dichlorophenyl)-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[3-(3,4-dichlorophenyl)-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[3-(3,4-dichlorophenyl)-5-[oxo-[4-(trifluoromethyl)anilino]methyl]-1-pyrazolyl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[3-(3,4-dichlorophenyl)-5-[[4-(trifluoromethyl)phenyl]carbamoyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[3-(3,4-dichlorophenyl)-5-[[4-(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=C1CN2C(=CC(=N2)C3=CC(=C(C=C3)Cl)Cl)C(=O)NC4=CC=C(C=C4)C(F)(F)F)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C(=CC(=N2)C3=CC(=C(C=C3)Cl)Cl)C(=O)NC4=CC=C(C=C4)C(F)(F)F)C(=O)NCCC(=O)O

InChI

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