2-[3-(tert-butylamino)-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(tert-butylamino)-5-(2-fluorophenyl)-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(tert-butylamino)-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-(tert-butylamino)-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-(tert-butylamino)-5-(2-fluorophenyl)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-(tert-butylamino)-5-(2-fluorophenyl)-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C22H25FN2O3 MolecularWeight: 384.443903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1CC(C2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)NC1CC(C2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3F

InChI

InChI=1S/C22H25FN2O3/c1-22(2,3)24-18-12-16(14-8-4-6-10-17(14)23)15-9-5-7-11-19(15)25(21(18)28)13-20(26)27/h4-11,16,18,24H,12-13H2,1-3H3,(H,26,27)