1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(pyridin-4-ylamino)propan-2-ol

Systemtic Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(pyridin-4-ylamino)propan-2-ol Openeye Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(4-pyridylamino)propan-2-ol CAS Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(pyridin-4-ylamino)-2-propanol IUPAC Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(pyridin-4-ylamino)propan-2-ol Traditional Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(4-pyridylamino)propan-2-ol Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C4=CC=C(C=C4)OCC(CNC5=CC=NC=C5)O)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C4=CC=C(C=C4)OCC(CNC5=CC=NC=C5)O)C

InChI

InChI=1S/C26H34N2O2/c1-24-11-19-12-25(2,16-24)18-26(13-19,17-24)20-3-5-23(6-4-20)30-15-22(29)14-28-21-7-9-27-10-8-21/h3-10,19,22,29H,11-18H2,1-2H3,(H,27,28)/t19?,22?,24-,25+,26?