1-[[(2S,4R)-4-phenylmethoxypyrrolidin-2-yl]methyl]azepane

Systemtic Name: 1-[[(2S,4R)-4-phenylmethoxypyrrolidin-2-yl]methyl]azepane Openeye Name: 1-[[(2S,4R)-4-benzyloxypyrrolidin-2-yl]methyl]azepane CAS Name: 1-[[(2S,4R)-4-phenylmethoxy-2-pyrrolidinyl]methyl]azepane IUPAC Name: 1-[[(2S,4R)-4-phenylmethoxypyrrolidin-2-yl]methyl]azepane Traditional Name: 1-[[(2S,4R)-4-benzoxypyrrolidin-2-yl]methyl]azepane Formula: C18H28N2O MolecularWeight: 288.42772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2CC(CN2)OCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C[C@@H]2C[C@H](CN2)OCC3=CC=CC=C3

InChI

InChI=1S/C18H28N2O/c1-2-7-11-20(10-6-1)14-17-12-18(13-19-17)21-15-16-8-4-3-5-9-16/h3-5,8-9,17-19H,1-2,6-7,10-15H2/t17-,18+/m0/s1