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2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]ethanoic acid

2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]ethanoic acid

Systemtic Name:2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]ethanoic acid
Openeye Name:2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]acetic acid
CAS Name:2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]acetic acid
IUPAC Name:2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]acetic acid
Traditional Name:2-[3-[[1,3-benzoxazol-2-yl(heptyl)amino]methyl]phenoxy]acetic acid
Formula: C23H28N2O4
MolecularWeight: 396.47942
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(CC1=CC(=CC=C1)OCC(=O)O)C2=NC3=CC=CC=C3O2


Isomeric SMILES

CCCCCCCN(CC1=CC(=CC=C1)OCC(=O)O)C2=NC3=CC=CC=C3O2


InChI

InChI=1S/C23H28N2O4/c1-2-3-4-5-8-14-25(23-24-20-12-6-7-13-21(20)29-23)16-18-10-9-11-19(15-18)28-17-22(26)27/h6-7,9-13,15H,2-5,8,14,16-17H2,1H3,(H,26,27)


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