sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-phenoxy-propanoate

Systemtic Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-phenoxy-propanoate Openeye Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-phenoxy-propanoate CAS Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-phenoxypropanoate IUPAC Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-phenoxypropanoate Traditional Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-phenoxy-propionate Formula: C25H24NNaO5 MolecularWeight: 441.45153

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N1CCOC3=CC=C(C=C3)CC(C(=O)[O-])OC4=CC=CC=C4.[Na+]

Isomeric SMILES

C1COC2=CC=CC=C2N1CCOC3=CC=C(C=C3)CC(C(=O)[O-])OC4=CC=CC=C4.[Na+]

InChI

InChI=1S/C25H25NO5.Na/c27-25(28)24(31-21-6-2-1-3-7-21)18-19-10-12-20(13-11-19)29-16-14-26-15-17-30-23-9-5-4-8-22(23)26;/h1-13,24H,14-18H2,(H,27,28);/q;+1/p-1