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

Systemtic Name: 1-(2-adamantylamino)-3-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]propan-2-ol Openeye Name: 1-(2-adamantylamino)-3-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]propan-2-ol CAS Name: 1-(2-adamantylamino)-3-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]-2-propanol IUPAC Name: 1-(2-adamantylamino)-3-[4-[(3R,5S)-3,5-dimethyl-1-adamantyl]phenoxy]propan-2-ol Traditional Name: 1-(2-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(CNC5C6CC7CC(C6)CC5C7)O)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C4=CC=C(C=C4)OCC(CNC5C6CC7CC(C6)CC5C7)O)C

InChI

InChI=1S/C31H45NO2/c1-29-12-22-13-30(2,17-29)19-31(14-22,18-29)25-3-5-27(6-4-25)34-16-26(33)15-32-28-23-8-20-7-21(10-23)11-24(28)9-20/h3-6,20-24,26,28,32-33H,7-19H2,1-2H3/t20?,21?,22?,23?,24?,26?,28?,29-,30+,31?