(3S)-4-phenylmethoxy-3-[(2R,3R)-3-phenylmethoxy-1-(phenylmethyl)pyrrolidin-2-yl]butan-1-ol

Systemtic Name: (3S)-4-phenylmethoxy-3-[(2R,3R)-3-phenylmethoxy-1-(phenylmethyl)pyrrolidin-2-yl]butan-1-ol Openeye Name: (3S)-3-[(2R,3R)-1-benzyl-3-benzyloxy-pyrrolidin-2-yl]-4-benzyloxy-butan-1-ol CAS Name: (3S)-4-phenylmethoxy-3-[(2R,3R)-3-phenylmethoxy-1-(phenylmethyl)-2-pyrrolidinyl]-1-butanol IUPAC Name: (3S)-3-[(2R,3R)-1-benzyl-3-phenylmethoxypyrrolidin-2-yl]-4-phenylmethoxybutan-1-ol Traditional Name: (3S)-4-benzoxy-3-[(2R,3R)-3-benzoxy-1-benzyl-pyrrolidin-2-yl]butan-1-ol Formula: C29H35NO3 MolecularWeight: 445.5931

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C1OCC2=CC=CC=C2)C(CCO)COCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN([C@@H]([C@@H]1OCC2=CC=CC=C2)[C@H](CCO)COCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H35NO3/c31-19-17-27(23-32-21-25-12-6-2-7-13-25)29-28(33-22-26-14-8-3-9-15-26)16-18-30(29)20-24-10-4-1-5-11-24/h1-15,27-29,31H,16-23H2/t27-,28-,29-/m1/s1