2-[4-[(1-adamantylamino)methyl]-2-bromanyl-6-methoxy-phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone

Systemtic Name: 2-[4-[(1-adamantylamino)methyl]-2-bromanyl-6-methoxy-phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-methoxy-phenoxy]-1-indolin-1-yl-ethanone CAS Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-methoxyphenoxy]-1-(2,3-dihydroindol-1-yl)ethanone IUPAC Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-methoxyphenoxy]-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[4-[(1-adamantylamino)methyl]-2-bromo-6-methoxy-phenoxy]-1-indolin-1-yl-ethanone Formula: C28H33BrN2O3 MolecularWeight: 525.47722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC(=O)N5CCC6=CC=CC=C65

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC(=O)N5CCC6=CC=CC=C65

InChI

InChI=1S/C28H33BrN2O3/c1-33-25-12-21(16-30-28-13-18-8-19(14-28)10-20(9-18)15-28)11-23(29)27(25)34-17-26(32)31-7-6-22-4-2-3-5-24(22)31/h2-5,11-12,18-20,30H,6-10,13-17H2,1H3