tert-butyl 4-[[4-fluoranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-fluoranyl-3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[4-fluoro-3-(2-oxo-1-pyrrolidinyl)anilino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-fluoro-3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-fluoro-3-(2-ketopyrrolidino)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28FN3O4 MolecularWeight: 405.463123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)F)N3CCCC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC(=C(C=C2)F)N3CCCC3=O

InChI

InChI=1S/C21H28FN3O4/c1-21(2,3)29-20(28)24-11-8-14(9-12-24)19(27)23-15-6-7-16(22)17(13-15)25-10-4-5-18(25)26/h6-7,13-14H,4-5,8-12H2,1-3H3,(H,23,27)