[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H17FN2O3 MolecularWeight: 352.358983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3)F

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)COC(=O)C2=CC=C(C=C2)N3C=CC=C3)F

InChI

InChI=1S/C20H17FN2O3/c21-18-6-2-1-5-16(18)13-22-19(24)14-26-20(25)15-7-9-17(10-8-15)23-11-3-4-12-23/h1-12H,13-14H2,(H,22,24)