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

Systemtic Name: tert-butyl 4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(2-ketopyrrolidino)benzyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCC2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C22H31N3O4/c1-22(2,3)29-21(28)24-13-10-17(11-14-24)20(27)23-15-16-6-8-18(9-7-16)25-12-4-5-19(25)26/h6-9,17H,4-5,10-15H2,1-3H3,(H,23,27)