1-[4-(1-adamantyl)phenoxy]-3-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol

Systemtic Name: 1-[4-(1-adamantyl)phenoxy]-3-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol Openeye Name: 1-[4-(1-adamantyl)phenoxy]-3-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol CAS Name: 1-[4-(1-adamantyl)phenoxy]-3-[(3,4-dimethoxyphenyl)methylamino]-2-propanol IUPAC Name: 1-[4-(1-adamantyl)phenoxy]-3-[(3,4-dimethoxyphenyl)methylamino]propan-2-ol Traditional Name: 1-[4-(1-adamantyl)phenoxy]-3-(veratrylamino)propan-2-ol Formula: C28H37NO4 MolecularWeight: 451.59768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNCC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNCC(COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)O)OC

InChI

InChI=1S/C28H37NO4/c1-31-26-8-3-19(12-27(26)32-2)16-29-17-24(30)18-33-25-6-4-23(5-7-25)28-13-20-9-21(14-28)11-22(10-20)15-28/h3-8,12,20-22,24,29-30H,9-11,13-18H2,1-2H3