(2S)-1-[5-[(2-adamantylmethylamino)methyl]-2-methoxy-phenoxy]-3-pyrrolidin-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[5-[(2-adamantylmethylamino)methyl]-2-methoxy-phenoxy]-3-pyrrolidin-1-yl-propan-2-ol Openeye Name: (2S)-1-[5-[(2-adamantylmethylamino)methyl]-2-methoxy-phenoxy]-3-pyrrolidin-1-yl-propan-2-ol CAS Name: (2S)-1-[5-[(2-adamantylmethylamino)methyl]-2-methoxyphenoxy]-3-(1-pyrrolidinyl)-2-propanol IUPAC Name: (2S)-1-[5-[(2-adamantylmethylamino)methyl]-2-methoxyphenoxy]-3-pyrrolidin-1-ylpropan-2-ol Traditional Name: (2S)-1-[5-[(2-adamantylmethylamino)methyl]-2-methoxy-phenoxy]-3-pyrrolidino-propan-2-ol Formula: C26H40N2O3 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC2C3CC4CC(C3)CC2C4)OCC(CN5CCCC5)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC2C3CC4CC(C3)CC2C4)OC[C@H](CN5CCCC5)O

InChI

InChI=1S/C26H40N2O3/c1-30-25-5-4-18(13-26(25)31-17-23(29)16-28-6-2-3-7-28)14-27-15-24-21-9-19-8-20(11-21)12-22(24)10-19/h4-5,13,19-24,27,29H,2-3,6-12,14-17H2,1H3/t19?,20?,21?,22?,23-,24?/m0/s1