[4-(trifluoromethyl)phenyl]methyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [4-(trifluoromethyl)phenyl]methyl (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [4-(trifluoromethyl)phenyl]methyl (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [4-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [4-(trifluoromethyl)phenyl]methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [4-(trifluoromethyl)benzyl] ester Formula: C22H18F3NO4 MolecularWeight: 417.37783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=C(C=C2)C(F)(F)F)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H18F3NO4/c23-22(24,25)17-10-8-16(9-11-17)14-30-21(28)18(13-15-5-2-1-3-6-15)26-20(27)19-7-4-12-29-19/h1-12,18H,13-14H2,(H,26,27)/t18-/m0/s1