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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC(COC2=CC=C(C=C2)C34CC5CC(C3)(CC(C5)(C4)C)C)O

Isomeric SMILES

CC(C1=CC=CC=C1)NCC(COC2=CC=C(C=C2)C34CC5C[C@@](C3)(C[C@](C5)(C4)C)C)O

InChI

InChI=1S/C29H39NO2/c1-21(23-7-5-4-6-8-23)30-16-25(31)17-32-26-11-9-24(10-12-26)29-15-22-13-27(2,19-29)18-28(3,14-22)20-29/h4-12,21-22,25,30-31H,13-20H2,1-3H3/t21?,22?,25?,27-,28+,29?