[(2S)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [(2S)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [(1S)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [(1S)-2-(3-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(=CC=C1)F)OC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

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

InChI

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