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

Systemtic Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(phenethylamino)propan-2-ol Openeye Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(phenethylamino)propan-2-ol CAS Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(phenethylamino)-2-propanol IUPAC Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(phenethylamino)propan-2-ol Traditional Name: 1-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-3-(phenethylamino)propan-2-ol Formula: C29H39NO2 MolecularWeight: 433.62546

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C4=CC=C(C=C4)OCC(CNCCC5=CC=CC=C5)O)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C4=CC=C(C=C4)OCC(CNCCC5=CC=CC=C5)O)C

InChI

InChI=1S/C29H39NO2/c1-27-14-23-15-28(2,19-27)21-29(16-23,20-27)24-8-10-26(11-9-24)32-18-25(31)17-30-13-12-22-6-4-3-5-7-22/h3-11,23,25,30-31H,12-21H2,1-2H3/t23?,25?,27-,28+,29?