tert-butyl 4-[[3-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[3-(1-pyrrolidinylmethyl)anilino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(pyrrolidin-1-ylmethyl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[3-(pyrrolidinomethyl)phenyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)CN3CCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2=CC=CC(=C2)CN3CCCC3

InChI

InChI=1S/C22H33N3O3/c1-22(2,3)28-21(27)25-13-9-18(10-14-25)20(26)23-19-8-6-7-17(15-19)16-24-11-4-5-12-24/h6-8,15,18H,4-5,9-14,16H2,1-3H3,(H,23,26)