sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]ethanoate

Systemtic Name: sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]ethanoate Openeye Name: sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]acetate CAS Name: sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]acetate IUPAC Name: sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]acetate Traditional Name: sodium 2-[3-[[1,3-benzoxazol-2-yl(3-phenoxypropyl)amino]methyl]phenoxy]acetate Formula: C25H23N2NaO5 MolecularWeight: 454.45029

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCN(CC2=CC(=CC=C2)OCC(=O)[O-])C3=NC4=CC=CC=C4O3.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OCCCN(CC2=CC(=CC=C2)OCC(=O)[O-])C3=NC4=CC=CC=C4O3.[Na+]

InChI

InChI=1S/C25H24N2O5.Na/c28-24(29)18-31-21-11-6-8-19(16-21)17-27(14-7-15-30-20-9-2-1-3-10-20)25-26-22-12-4-5-13-23(22)32-25;/h1-6,8-13,16H,7,14-15,17-18H2,(H,28,29);/q;+1/p-1