bis(3,5-dimethylphenyl)-[(2S,4R)-4-phenylmethoxypyrrolidin-2-yl]methanol

Systemtic Name: bis(3,5-dimethylphenyl)-[(2S,4R)-4-phenylmethoxypyrrolidin-2-yl]methanol Openeye Name: [(2S,4R)-4-benzyloxypyrrolidin-2-yl]-bis(3,5-dimethylphenyl)methanol CAS Name: bis(3,5-dimethylphenyl)-[(2S,4R)-4-phenylmethoxy-2-pyrrolidinyl]methanol IUPAC Name: bis(3,5-dimethylphenyl)-[(2S,4R)-4-phenylmethoxypyrrolidin-2-yl]methanol Traditional Name: [(2S,4R)-4-benzoxypyrrolidin-2-yl]-bis(3,5-dimethylphenyl)methanol Formula: C28H33NO2 MolecularWeight: 415.56712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2CC(CN2)OCC3=CC=CC=C3)(C4=CC(=CC(=C4)C)C)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C([C@@H]2C[C@H](CN2)OCC3=CC=CC=C3)(C4=CC(=CC(=C4)C)C)O)C

InChI

InChI=1S/C28H33NO2/c1-19-10-20(2)13-24(12-19)28(30,25-14-21(3)11-22(4)15-25)27-16-26(17-29-27)31-18-23-8-6-5-7-9-23/h5-15,26-27,29-30H,16-18H2,1-4H3/t26-,27+/m1/s1