sodium 2-[[4-[2-(quinolin-3-ylcarbonylamino)ethoxy]phenyl]methyl]hexanoic acid

Systemtic Name: sodium 2-[[4-[2-(quinolin-3-ylcarbonylamino)ethoxy]phenyl]methyl]hexanoic acid Openeye Name: sodium 2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid CAS Name: sodium 2-[[4-[2-[[oxo(3-quinolinyl)methyl]amino]ethoxy]phenyl]methyl]hexanoic acid IUPAC Name: sodium 2-[[4-[2-(quinoline-3-carbonylamino)ethoxy]phenyl]methyl]hexanoic acid Traditional Name: sodium 2-[4-[2-(quinoline-3-carbonylamino)ethoxy]benzyl]hexanoic acid Formula: C25H28N2NaO4+ MolecularWeight: 443.49059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=C(C=C1)OCCNC(=O)C2=CC3=CC=CC=C3N=C2)C(=O)O.[Na+]

Isomeric SMILES

CCCCC(CC1=CC=C(C=C1)OCCNC(=O)C2=CC3=CC=CC=C3N=C2)C(=O)O.[Na+]

InChI

InChI=1S/C25H28N2O4.Na/c1-2-3-6-20(25(29)30)15-18-9-11-22(12-10-18)31-14-13-26-24(28)21-16-19-7-4-5-8-23(19)27-17-21;/h4-5,7-12,16-17,20H,2-3,6,13-15H2,1H3,(H,26,28)(H,29,30);/q;+1