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

Systemtic Name: tert-butyl 4-[[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[3-(2-oxo-1-pyrrolidinyl)anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(2-ketopyrrolidino)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4/c1-21(2,3)28-20(27)23-12-9-15(10-13-23)19(26)22-16-6-4-7-17(14-16)24-11-5-8-18(24)25/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,22,26)