sodium 2-[3-[[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]methyl]phenoxy]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=CC(=C1)CN(CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC=CC(=C1)CN(CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3.[Na+]

InChI

InChI=1S/C25H24N2O5.Na/c1-18(24(28)29)31-21-11-7-8-19(16-21)17-27(14-15-30-20-9-3-2-4-10-20)25-26-22-12-5-6-13-23(22)32-25;/h2-13,16,18H,14-15,17H2,1H3,(H,28,29);/q;+1/p-1