3-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]butane-1,3-diol

Systemtic Name: 3-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]butane-1,3-diol Openeye Name: 3-methyl-1-[3-(2-quinolylmethoxy)phenyl]butane-1,3-diol CAS Name: 3-methyl-1-[3-(2-quinolinylmethoxy)phenyl]butane-1,3-diol IUPAC Name: 3-methyl-1-[3-(quinolin-2-ylmethoxy)phenyl]butane-1,3-diol Traditional Name: 3-methyl-1-[3-(2-quinolylmethoxy)phenyl]butane-1,3-diol Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O)O

Isomeric SMILES

CC(C)(CC(C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2)O)O

InChI

InChI=1S/C21H23NO3/c1-21(2,24)13-20(23)16-7-5-8-18(12-16)25-14-17-11-10-15-6-3-4-9-19(15)22-17/h3-12,20,23-24H,13-14H2,1-2H3