3-[[1-[(2-chloranyl-6-ethoxy-phenyl)methyl]-5-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid

Systemtic Name: 3-[[1-[(2-chloranyl-6-ethoxy-phenyl)methyl]-5-methyl-2-oxidanyl-4-oxidanylidene-pyridin-3-yl]carbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid Openeye Name: 3-[[1-[(2-chloro-6-ethoxy-phenyl)methyl]-2-hydroxy-5-methyl-4-oxo-3-pyridyl]carbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid CAS Name: 3-[[[[1-[(2-chloro-6-ethoxyphenyl)methyl]-2-hydroxy-5-methyl-4-oxo-3-pyridinyl]amino]-oxomethyl]amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid IUPAC Name: 3-[[1-[(2-chloro-6-ethoxyphenyl)methyl]-2-hydroxy-5-methyl-4-oxopyridin-3-yl]carbamoylamino]-3-[3-(trifluoromethyl)phenyl]propanoic acid Traditional Name: 3-[[1-(2-chloro-6-ethoxy-benzyl)-2-hydroxy-4-keto-5-methyl-3-pyridyl]carbamoylamino]-3-[3-(trifluoromethyl)phenyl]propionic acid Formula: C26H25ClF3N3O6 MolecularWeight: 567.94141

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC=C1)Cl)CN2C=C(C(=O)C(=C2O)NC(=O)NC(CC(=O)O)C3=CC(=CC=C3)C(F)(F)F)C

Isomeric SMILES

CCOC1=C(C(=CC=C1)Cl)CN2C=C(C(=O)C(=C2O)NC(=O)NC(CC(=O)O)C3=CC(=CC=C3)C(F)(F)F)C

InChI

InChI=1S/C26H25ClF3N3O6/c1-3-39-20-9-5-8-18(27)17(20)13-33-12-14(2)23(36)22(24(33)37)32-25(38)31-19(11-21(34)35)15-6-4-7-16(10-15)26(28,29)30/h4-10,12,19,37H,3,11,13H2,1-2H3,(H,34,35)(H2,31,32,38)