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

Systemtic Name: sodium 2-butoxy-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]propanoate Openeye Name: sodium 2-butoxy-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]propanoate CAS Name: sodium 2-butoxy-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]propanoate IUPAC Name: sodium 2-butoxy-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]propanoate Traditional Name: sodium 2-butoxy-3-[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]propionate Formula: C23H28NNaO5 MolecularWeight: 421.46189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5.Na/c1-2-3-14-28-22(23(25)26)17-18-8-10-19(11-9-18)27-15-12-24-13-16-29-21-7-5-4-6-20(21)24;/h4-11,22H,2-3,12-17H2,1H3,(H,25,26);/q;+1/p-1