tert-butyl 4-[(3R,4R)-4-oxidanyl-1-(phenylmethyl)pyrrolidin-3-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3R,4R)-4-oxidanyl-1-(phenylmethyl)pyrrolidin-3-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3R,4R)-1-benzyl-4-hydroxy-pyrrolidin-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3R,4R)-4-hydroxy-1-(phenylmethyl)-3-pyrrolidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3R,4R)-1-benzyl-4-hydroxy-pyrrolidin-3-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2CN(CC2O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)[C@@H]2CN(C[C@H]2O)CC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)23-11-9-22(10-12-23)17-14-21(15-18(17)24)13-16-7-5-4-6-8-16/h4-8,17-18,24H,9-15H2,1-3H3/t17-,18-/m1/s1