2-[4-ethynyl-2-oxidanylidene-3-[[4-(trifluoromethyl)phenyl]carbonylamino]pyridin-1-yl]-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[4-ethynyl-2-oxidanylidene-3-[[4-(trifluoromethyl)phenyl]carbonylamino]pyridin-1-yl]-3-phenylmethoxy-propanoic acid Openeye Name: 3-benzyloxy-2-[4-ethynyl-2-oxo-3-[[4-(trifluoromethyl)benzoyl]amino]-1-pyridyl]propanoic acid CAS Name: 2-[4-ethynyl-2-oxo-3-[[oxo-[4-(trifluoromethyl)phenyl]methyl]amino]-1-pyridinyl]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[4-ethynyl-2-oxo-3-[[4-(trifluoromethyl)benzoyl]amino]pyridin-1-yl]-3-phenylmethoxypropanoic acid Traditional Name: 3-benzoxy-2-[4-ethynyl-2-keto-3-[[4-(trifluoromethyl)benzoyl]amino]-1-pyridyl]propionic acid Formula: C25H19F3N2O5 MolecularWeight: 484.42397

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C(=O)N(C=C1)C(COCC2=CC=CC=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C#CC1=C(C(=O)N(C=C1)C(COCC2=CC=CC=C2)C(=O)O)NC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C25H19F3N2O5/c1-2-17-12-13-30(20(24(33)34)15-35-14-16-6-4-3-5-7-16)23(32)21(17)29-22(31)18-8-10-19(11-9-18)25(26,27)28/h1,3-13,20H,14-15H2,(H,29,31)(H,33,34)