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

Systemtic Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-propoxy-propanoate Openeye Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-propoxy-propanoate CAS Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-propoxypropanoate IUPAC Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-propoxypropanoate Traditional Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-propoxy-propionate Formula: C22H26NNaO5 MolecularWeight: 407.43531

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(CC1=CC=C(C=C1)OCCN2CCOC3=CC=CC=C32)C(=O)[O-].[Na+]

Isomeric SMILES

CCCOC(CC1=CC=C(C=C1)OCCN2CCOC3=CC=CC=C32)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H27NO5.Na/c1-2-13-27-21(22(24)25)16-17-7-9-18(10-8-17)26-14-11-23-12-15-28-20-6-4-3-5-19(20)23;/h3-10,21H,2,11-16H2,1H3,(H,24,25);/q;+1/p-1