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

Systemtic Name: 2-[4-[(2-adamantylamino)methyl]-2-chloranyl-6-methoxy-phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone Openeye Name: 2-[4-[(2-adamantylamino)methyl]-2-chloro-6-methoxy-phenoxy]-1-indolin-1-yl-ethanone CAS Name: 2-[4-[(2-adamantylamino)methyl]-2-chloro-6-methoxyphenoxy]-1-(2,3-dihydroindol-1-yl)ethanone IUPAC Name: 2-[4-[(2-adamantylamino)methyl]-2-chloro-6-methoxyphenoxy]-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-[4-[(2-adamantylamino)methyl]-2-chloro-6-methoxy-phenoxy]-1-indolin-1-yl-ethanone Formula: C28H33ClN2O3 MolecularWeight: 481.02622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Cl)OCC(=O)N5CCC6=CC=CC=C65

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Cl)OCC(=O)N5CCC6=CC=CC=C65

InChI

InChI=1S/C28H33ClN2O3/c1-33-25-14-19(15-30-27-21-9-17-8-18(11-21)12-22(27)10-17)13-23(29)28(25)34-16-26(32)31-7-6-20-4-2-3-5-24(20)31/h2-5,13-14,17-18,21-22,27,30H,6-12,15-16H2,1H3