methyl 3,3,3-tris(fluoranyl)-2-[4-(naphthalen-2-ylcarbamoylamino)phenyl]-2-oxidanyl-propanoate

Systemtic Name: methyl 3,3,3-tris(fluoranyl)-2-[4-(naphthalen-2-ylcarbamoylamino)phenyl]-2-oxidanyl-propanoate Openeye Name: methyl 3,3,3-trifluoro-2-hydroxy-2-[4-(2-naphthylcarbamoylamino)phenyl]propanoate CAS Name: 3,3,3-trifluoro-2-hydroxy-2-[4-[[(2-naphthalenylamino)-oxomethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3,3,3-trifluoro-2-hydroxy-2-[4-(naphthalen-2-ylcarbamoylamino)phenyl]propanoate Traditional Name: 3,3,3-trifluoro-2-hydroxy-2-[4-(2-naphthylcarbamoylamino)phenyl]propionic acid methyl ester Formula: C21H17F3N2O4 MolecularWeight: 418.36589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)NC(=O)NC2=CC3=CC=CC=C3C=C2)(C(F)(F)F)O

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)NC(=O)NC2=CC3=CC=CC=C3C=C2)(C(F)(F)F)O

InChI

InChI=1S/C21H17F3N2O4/c1-30-18(27)20(29,21(22,23)24)15-7-10-16(11-8-15)25-19(28)26-17-9-6-13-4-2-3-5-14(13)12-17/h2-12,29H,1H3,(H2,25,26,28)