3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one

Systemtic Name: 3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one Openeye Name: 3-[2-propyl-6-[[3-(2-quinolylmethoxy)phenoxy]methyl]phenoxy]butan-2-one CAS Name: 3-[2-propyl-6-[[3-(2-quinolinylmethoxy)phenoxy]methyl]phenoxy]-2-butanone IUPAC Name: 3-[2-propyl-6-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]butan-2-one Traditional Name: 3-[2-propyl-6-[[3-(2-quinolylmethoxy)phenoxy]methyl]phenoxy]butan-2-one Formula: C30H31NO4 MolecularWeight: 469.57144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)OC(C)C(=O)C

Isomeric SMILES

CCCC1=C(C(=CC=C1)COC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)OC(C)C(=O)C

InChI

InChI=1S/C30H31NO4/c1-4-9-24-11-7-12-25(30(24)35-22(3)21(2)32)19-33-27-13-8-14-28(18-27)34-20-26-17-16-23-10-5-6-15-29(23)31-26/h5-8,10-18,22H,4,9,19-20H2,1-3H3