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

Systemtic Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 4-pyrrol-1-ylbenzoate Openeye Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-[2-(2-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C21H19FN2O3 MolecularWeight: 366.385563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O3/c22-19-6-2-1-5-16(19)11-12-23-20(25)15-27-21(26)17-7-9-18(10-8-17)24-13-3-4-14-24/h1-10,13-14H,11-12,15H2,(H,23,25)