sodium 2,2-dimethyl-3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoate

Systemtic Name: sodium 2,2-dimethyl-3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoate Openeye Name: sodium 2,2-dimethyl-3,3-bis[4-(2-quinolylmethoxy)phenyl]propanoate CAS Name: sodium 2,2-dimethyl-3,3-bis[4-(2-quinolinylmethoxy)phenyl]propanoate IUPAC Name: sodium 2,2-dimethyl-3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanoate Traditional Name: sodium 2,2-dimethyl-3,3-bis[4-(2-quinolylmethoxy)phenyl]propionate Formula: C37H31N2NaO4 MolecularWeight: 590.64281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(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(C)(C(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/c1-37(2,36(40)41)35(27-13-19-31(20-14-27)42-23-29-17-11-25-7-3-5-9-33(25)38-29)28-15-21-32(22-16-28)43-24-30-18-12-26-8-4-6-10-34(26)39-30;/h3-22,35H,23-24H2,1-2H3,(H,40,41);/q;+1/p-1