[(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [(1S)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [(1S)-2-(4-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H19FN4O3 MolecularWeight: 418.420363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H19FN4O3/c1-15(22(29)25-19-12-10-18(24)11-13-19)31-23(30)17-8-6-16(7-9-17)14-28-21-5-3-2-4-20(21)26-27-28/h2-13,15H,14H2,1H3,(H,25,29)/t15-/m0/s1