(phenylmethyl) 2-[[3-[2,2,2-tris(fluoranyl)ethanoyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3-[2,2,2-tris(fluoranyl)ethanoyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]ethanoate Openeye Name: benzyl 2-[[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]acetate CAS Name: 2-[[3-(2,2,2-trifluoro-1-oxoethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]acetate Traditional Name: 2-[[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]acetic acid benzyl ester Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC2=C1C=CC(=C2)NCC(=O)OCC3=CC=CC=C3)C(=O)C(F)(F)F

Isomeric SMILES

C1CN(CCC2=C1C=CC(=C2)NCC(=O)OCC3=CC=CC=C3)C(=O)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3/c22-21(23,24)20(28)26-10-8-16-6-7-18(12-17(16)9-11-26)25-13-19(27)29-14-15-4-2-1-3-5-15/h1-7,12,25H,8-11,13-14H2