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

Systemtic Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-hexoxy-propanoate Openeye Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-hexoxy-propanoate CAS Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-hexoxypropanoate IUPAC Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-hexoxypropanoate Traditional Name: sodium 3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]-2-hexoxy-propionate Formula: C25H32NNaO5 MolecularWeight: 449.51505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO5.Na/c1-2-3-4-7-16-30-24(25(27)28)19-20-10-12-21(13-11-20)29-17-14-26-15-18-31-23-9-6-5-8-22(23)26;/h5-6,8-13,24H,2-4,7,14-19H2,1H3,(H,27,28);/q;+1/p-1