3-[[(2S,3S)-2-tert-butyl-1-(phenylmethyl)pyrrolidin-3-yl]methyl]pentan-3-ol

Systemtic Name: 3-[[(2S,3S)-2-tert-butyl-1-(phenylmethyl)pyrrolidin-3-yl]methyl]pentan-3-ol Openeye Name: 3-[[(2S,3S)-1-benzyl-2-tert-butyl-pyrrolidin-3-yl]methyl]pentan-3-ol CAS Name: 3-[[(2S,3S)-2-tert-butyl-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-3-pentanol IUPAC Name: 3-[[(2S,3S)-1-benzyl-2-tert-butylpyrrolidin-3-yl]methyl]pentan-3-ol Traditional Name: 3-[[(2S,3S)-1-benzyl-2-tert-butyl-pyrrolidin-3-yl]methyl]pentan-3-ol Formula: C21H35NO MolecularWeight: 317.5087

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1CCN(C1C(C)(C)C)CC2=CC=CC=C2)O

Isomeric SMILES

CCC(CC)(C[C@@H]1CCN([C@@H]1C(C)(C)C)CC2=CC=CC=C2)O

InChI

InChI=1S/C21H35NO/c1-6-21(23,7-2)15-18-13-14-22(19(18)20(3,4)5)16-17-11-9-8-10-12-17/h8-12,18-19,23H,6-7,13-16H2,1-5H3/t18-,19-/m0/s1