2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-chromen-4-yl]-3-[4-fluoranyl-2-(trifluoromethyl)phenyl]-2-phenyl-propanoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)-2-oxidanylidene-chromen-4-yl]-3-[4-fluoranyl-2-(trifluoromethyl)phenyl]-2-phenyl-propanoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)-2-oxo-chromen-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-2-phenyl-propanoic acid CAS Name: 2-[3-(2-amino-2-oxoethyl)-2-oxo-1-benzopyran-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-2-phenylpropanoic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)-2-oxochromen-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-2-phenylpropanoic acid Traditional Name: 2-[3-(2-amino-2-keto-ethyl)-2-keto-chromen-4-yl]-3-[4-fluoro-2-(trifluoromethyl)phenyl]-2-phenyl-propionic acid Formula: C27H19F4NO5 MolecularWeight: 513.437073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=C(C=C(C=C2)F)C(F)(F)F)(C3=C(C(=O)OC4=CC=CC=C43)CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC2=C(C=C(C=C2)F)C(F)(F)F)(C3=C(C(=O)OC4=CC=CC=C43)CC(=O)N)C(=O)O

InChI

InChI=1S/C27H19F4NO5/c28-17-11-10-15(20(12-17)27(29,30)31)14-26(25(35)36,16-6-2-1-3-7-16)23-18-8-4-5-9-21(18)37-24(34)19(23)13-22(32)33/h1-12H,13-14H2,(H2,32,33)(H,35,36)