2-[4-[[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[2-(5-propylisoxazol-3-yl)azepan-1-yl]methyl]phenoxy]acetic acid CAS Name: 2-[4-[[2-(5-propyl-3-isoxazolyl)-1-azepanyl]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[[2-(5-propyl-1,2-oxazol-3-yl)azepan-1-yl]methyl]phenoxy]acetic acid Traditional Name: 2-[4-[[2-(5-propylisoxazol-3-yl)azepan-1-yl]methyl]phenoxy]acetic acid Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NO1)C2CCCCCN2CC3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

CCCC1=CC(=NO1)C2CCCCCN2CC3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C21H28N2O4/c1-2-6-18-13-19(22-27-18)20-7-4-3-5-12-23(20)14-16-8-10-17(11-9-16)26-15-21(24)25/h8-11,13,20H,2-7,12,14-15H2,1H3,(H,24,25)