3-[[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-hydroxy-4-oxo-3-pyridyl]carbamoylamino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-hydroxy-4-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-hydroxy-4-oxopyridin-3-yl]carbamoylamino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[1-[3,5-bis(trifluoromethyl)benzyl]-2-hydroxy-4-keto-3-pyridyl]carbamoylamino]-3-(p-tolyl)propionic acid Formula: C25H21F6N3O5 MolecularWeight: 557.441759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=CC2=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)NC2=C(N(C=CC2=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O

InChI

InChI=1S/C25H21F6N3O5/c1-13-2-4-15(5-3-13)18(11-20(36)37)32-23(39)33-21-19(35)6-7-34(22(21)38)12-14-8-16(24(26,27)28)10-17(9-14)25(29,30)31/h2-10,18,38H,11-12H2,1H3,(H,36,37)(H2,32,33,39)