[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C21H24FN3O4 MolecularWeight: 401.431363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H24FN3O4/c1-13-11-18(14(2)25(13)17-5-3-16(22)4-6-17)21(28)29-12-19(26)24-9-7-15(8-10-24)20(23)27/h3-6,11,15H,7-10,12H2,1-2H3,(H2,23,27)