[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C23H19FN4O3 MolecularWeight: 418.420363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)F

InChI

InChI=1S/C23H19FN4O3/c24-19-6-2-1-5-18(19)13-25-22(29)15-31-23(30)17-11-9-16(10-12-17)14-28-21-8-4-3-7-20(21)26-27-28/h1-12H,13-15H2,(H,25,29)