1-[(2S)-3-[4-[(1-adamantylamino)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]piperidin-4-ol

Systemtic Name: 1-[(2S)-3-[4-[(1-adamantylamino)methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]piperidin-4-ol Openeye Name: 1-[(2S)-3-[4-[(1-adamantylamino)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]piperidin-4-ol CAS Name: 1-[(2S)-3-[4-[(1-adamantylamino)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-4-piperidinol IUPAC Name: 1-[(2S)-3-[4-[(1-adamantylamino)methyl]-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-4-ol Traditional Name: 1-[(2S)-3-[4-[(1-adamantylamino)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]piperidin-4-ol Formula: C26H40N2O4 MolecularWeight: 444.6068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OCC(CN5CCC(CC5)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)OC[C@H](CN5CCC(CC5)O)O

InChI

InChI=1S/C26H40N2O4/c1-31-25-11-18(15-27-26-12-19-8-20(13-26)10-21(9-19)14-26)2-3-24(25)32-17-23(30)16-28-6-4-22(29)5-7-28/h2-3,11,19-23,27,29-30H,4-10,12-17H2,1H3/t19?,20?,21?,23-,26?/m0/s1