ethyl 4-[3-ethoxycarbonyl-5-(4-fluorophenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-ethoxycarbonyl-5-(4-fluorophenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-ethoxycarbonyl-5-(4-fluorophenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-ethoxycarbonyl-5-(4-fluorophenyl)-1H-pyrrol-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-ethoxycarbonyl-5-(4-fluorophenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-carbethoxy-5-(4-fluorophenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C20H24FN3O4 MolecularWeight: 389.420663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1)C2=CC=C(C=C2)F)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1)C2=CC=C(C=C2)F)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C20H24FN3O4/c1-3-27-19(25)16-13-17(14-5-7-15(21)8-6-14)22-18(16)23-9-11-24(12-10-23)20(26)28-4-2/h5-8,13,22H,3-4,9-12H2,1-2H3