3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]butanoic acid

Systemtic Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]butanoic acid Openeye Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]butanoic acid CAS Name: 3,3-bis[4-(2-quinolinylmethoxy)phenyl]butanoic acid IUPAC Name: 3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]butanoic acid Traditional Name: 3,3-bis[4-(2-quinolylmethoxy)phenyl]butyric acid Formula: C36H30N2O4 MolecularWeight: 554.6344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CC(CC(=O)O)(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C36H30N2O4/c1-36(22-35(39)40,27-12-18-31(19-13-27)41-23-29-16-10-25-6-2-4-8-33(25)37-29)28-14-20-32(21-15-28)42-24-30-17-11-26-7-3-5-9-34(26)38-30/h2-21H,22-24H2,1H3,(H,39,40)