3-[[4-[[5-[(4-fluorophenyl)carbamoyl]-3-[4-(trifluoromethyloxy)phenyl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[5-[(4-fluorophenyl)carbamoyl]-3-[4-(trifluoromethyloxy)phenyl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[5-[(4-fluorophenyl)carbamoyl]-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[5-[(4-fluoroanilino)-oxomethyl]-3-[4-(trifluoromethoxy)phenyl]-1-pyrazolyl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[5-[(4-fluorophenyl)carbamoyl]-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[5-[(4-fluorophenyl)carbamoyl]-3-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]benzoyl]amino]propionic acid Formula: C28H22F4N4O5 MolecularWeight: 570.491693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22F4N4O5/c29-20-7-9-21(10-8-20)34-27(40)24-15-23(18-5-11-22(12-6-18)41-28(30,31)32)35-36(24)16-17-1-3-19(4-2-17)26(39)33-14-13-25(37)38/h1-12,15H,13-14,16H2,(H,33,39)(H,34,40)(H,37,38)