tert-butyl (3R)-4-(phenylmethyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl (3R)-4-(phenylmethyl)-3-[(1S)-1-pyrrolidin-1-ylethyl]piperazine-1-carboxylate Openeye Name: tert-butyl (3R)-4-benzyl-3-[(1S)-1-pyrrolidin-1-ylethyl]piperazine-1-carboxylate CAS Name: (3R)-4-(phenylmethyl)-3-[(1S)-1-(1-pyrrolidinyl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-4-benzyl-3-[(1S)-1-pyrrolidin-1-ylethyl]piperazine-1-carboxylate Traditional Name: (3R)-4-benzyl-3-[(1S)-1-pyrrolidinoethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H35N3O2 MolecularWeight: 373.5322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(CCN1CC2=CC=CC=C2)C(=O)OC(C)(C)C)N3CCCC3

Isomeric SMILES

C[C@@H]([C@H]1CN(CCN1CC2=CC=CC=C2)C(=O)OC(C)(C)C)N3CCCC3

InChI

InChI=1S/C22H35N3O2/c1-18(23-12-8-9-13-23)20-17-25(21(26)27-22(2,3)4)15-14-24(20)16-19-10-6-5-7-11-19/h5-7,10-11,18,20H,8-9,12-17H2,1-4H3/t18-,20+/m0/s1