3-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]hexan-2-one

Systemtic Name: 3-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]hexan-2-one Openeye Name: 3-[[3-[[3-(2-quinolylmethoxy)phenoxy]methyl]phenyl]methyl]hexan-2-one CAS Name: 3-[[3-[[3-(2-quinolinylmethoxy)phenoxy]methyl]phenyl]methyl]-2-hexanone IUPAC Name: 3-[[3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]methyl]hexan-2-one Traditional Name: 3-[3-[[3-(2-quinolylmethoxy)phenoxy]methyl]benzyl]hexan-2-one Formula: C30H31NO3 MolecularWeight: 453.57204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC(=CC=C1)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)C

Isomeric SMILES

CCCC(CC1=CC(=CC=C1)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)C

InChI

InChI=1S/C30H31NO3/c1-3-8-26(22(2)32)18-23-9-6-10-24(17-23)20-33-28-12-7-13-29(19-28)34-21-27-16-15-25-11-4-5-14-30(25)31-27/h4-7,9-17,19,26H,3,8,18,20-21H2,1-2H3