tert-butyl 4-[[1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-(phenylmethyl)pyrrolidin-3-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(1-benzylpyrrolidin-3-yl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[oxo-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1-benzylpyrrolidin-3-yl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(1-benzylpyrrolidin-3-yl)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)NC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O3/c1-22(2,3)28-21(27)25-13-9-18(10-14-25)20(26)23-19-11-12-24(16-19)15-17-7-5-4-6-8-17/h4-8,18-19H,9-16H2,1-3H3,(H,23,26)