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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

InChI

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