5-[(1S)-2-[4-[(1-adamantylamino)methyl]phenoxy]-1-oxidanyl-ethyl]-1,3-dimethyl-benzimidazol-2-one

Systemtic Name: 5-[(1S)-2-[4-[(1-adamantylamino)methyl]phenoxy]-1-oxidanyl-ethyl]-1,3-dimethyl-benzimidazol-2-one Openeye Name: 5-[(1S)-2-[4-[(1-adamantylamino)methyl]phenoxy]-1-hydroxy-ethyl]-1,3-dimethyl-benzimidazol-2-one CAS Name: 5-[(1S)-2-[4-[(1-adamantylamino)methyl]phenoxy]-1-hydroxyethyl]-1,3-dimethyl-2-benzimidazolone IUPAC Name: 5-[(1S)-2-[4-[(1-adamantylamino)methyl]phenoxy]-1-hydroxyethyl]-1,3-dimethylbenzimidazol-2-one Traditional Name: 5-[(1S)-2-[4-[(1-adamantylamino)methyl]phenoxy]-1-hydroxy-ethyl]-1,3-dimethyl-benzimidazol-2-one Formula: C28H35N3O3 MolecularWeight: 461.5958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(COC3=CC=C(C=C3)CNC45CC6CC(C4)CC(C6)C5)O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)[C@@H](COC3=CC=C(C=C3)CNC45CC6CC(C4)CC(C6)C5)O)N(C1=O)C

InChI

InChI=1S/C28H35N3O3/c1-30-24-8-5-22(12-25(24)31(2)27(30)33)26(32)17-34-23-6-3-18(4-7-23)16-29-28-13-19-9-20(14-28)11-21(10-19)15-28/h3-8,12,19-21,26,29,32H,9-11,13-17H2,1-2H3/t19?,20?,21?,26-,28?/m1/s1