2-phenyl-1-[2,2,2-tris(fluoranyl)ethanoyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid

Systemtic Name: 2-phenyl-1-[2,2,2-tris(fluoranyl)ethanoyl]-2,3-dihydro-1-benzazepine-4-carboxylic acid Openeye Name: 2-phenyl-1-(2,2,2-trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid CAS Name: 2-phenyl-1-(2,2,2-trifluoro-1-oxoethyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid IUPAC Name: 2-phenyl-1-(2,2,2-trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Traditional Name: 2-phenyl-1-(2,2,2-trifluoroacetyl)-2,3-dihydro-1-benzazepine-4-carboxylic acid Formula: C19H14F3NO3 MolecularWeight: 361.31457

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2C=C1C(=O)O)C(=O)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1C(N(C2=CC=CC=C2C=C1C(=O)O)C(=O)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C19H14F3NO3/c20-19(21,22)18(26)23-15-9-5-4-8-13(15)10-14(17(24)25)11-16(23)12-6-2-1-3-7-12/h1-10,16H,11H2,(H,24,25)