2-ethoxy-3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]propanoic acid; sodium

Systemtic Name: 2-ethoxy-3-[4-[2-[(4-pyridin-2-ylphenyl)carbonylamino]ethoxy]phenyl]propanoic acid; sodium Openeye Name: 2-ethoxy-3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]propanoic acid; sodium CAS Name: 2-ethoxy-3-[4-[2-[[oxo-[4-(2-pyridinyl)phenyl]methyl]amino]ethoxy]phenyl]propanoic acid; sodium IUPAC Name: 2-ethoxy-3-[4-[2-[(4-pyridin-2-ylbenzoyl)amino]ethoxy]phenyl]propanoic acid; sodium Traditional Name: 2-ethoxy-3-[4-[2-[[4-(2-pyridyl)benzoyl]amino]ethoxy]phenyl]propionic acid; sodium Formula: C25H26N2NaO5 MolecularWeight: 457.47411

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)C(=O)O.[Na]

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)C3=CC=CC=N3)C(=O)O.[Na]

InChI

InChI=1S/C25H26N2O5.Na/c1-2-31-23(25(29)30)17-18-6-12-21(13-7-18)32-16-15-27-24(28)20-10-8-19(9-11-20)22-5-3-4-14-26-22;/h3-14,23H,2,15-17H2,1H3,(H,27,28)(H,29,30);