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

Systemtic Name: 1-(1-adamantylamino)-3-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]propan-2-ol Openeye Name: 1-(1-adamantylamino)-3-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]propan-2-ol CAS Name: 1-(1-adamantylamino)-3-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-2-propanol IUPAC Name: 1-(1-adamantylamino)-3-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]propan-2-ol Traditional Name: 1-(1-adamantylamino)-3-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]propan-2-ol Formula: C31H45NO2 MolecularWeight: 463.6945

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C4=CC=C(C=C4)OCC(CNC56CC7CC(C5)CC(C7)C6)O)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C4=CC=C(C=C4)OCC(CNC56CC7CC(C5)CC(C7)C6)O)C

InChI

InChI=1S/C31H45NO2/c1-28-10-24-11-29(2,18-28)20-30(12-24,19-28)25-3-5-27(6-4-25)34-17-26(33)16-32-31-13-21-7-22(14-31)9-23(8-21)15-31/h3-6,21-24,26,32-33H,7-20H2,1-2H3/t21?,22?,23?,24?,26?,28-,29+,30?,31?