sodium 2-methyl-4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]butanoate

Systemtic Name: sodium 2-methyl-4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]butanoate Openeye Name: sodium 2-methyl-4,4-bis[4-(2-quinolylmethoxy)phenyl]butanoate CAS Name: sodium 2-methyl-4,4-bis[4-(2-quinolinylmethoxy)phenyl]butanoate IUPAC Name: sodium 2-methyl-4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]butanoate Traditional Name: sodium 2-methyl-4,4-bis[4-(2-quinolylmethoxy)phenyl]butyrate Formula: C37H31N2NaO4 MolecularWeight: 590.64281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C(=O)[O-].[Na+]

Isomeric SMILES

CC(CC(C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCC5=NC6=CC=CC=C6C=C5)C(=O)[O-].[Na+]

InChI

InChI=1S/C37H32N2O4.Na/c1-25(37(40)41)22-34(26-12-18-32(19-13-26)42-23-30-16-10-28-6-2-4-8-35(28)38-30)27-14-20-33(21-15-27)43-24-31-17-11-29-7-3-5-9-36(29)39-31;/h2-21,25,34H,22-24H2,1H3,(H,40,41);/q;+1/p-1