2-[3-(azepan-1-ylmethyl)phenoxy]ethanoic acid

Systemtic Name: 2-[3-(azepan-1-ylmethyl)phenoxy]ethanoic acid Openeye Name: 2-[3-(azepan-1-ylmethyl)phenoxy]acetic acid CAS Name: 2-[3-(1-azepanylmethyl)phenoxy]acetic acid IUPAC Name: 2-[3-(azepan-1-ylmethyl)phenoxy]acetic acid Traditional Name: 2-[3-(azepan-1-ylmethyl)phenoxy]acetic acid Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CC(=CC=C2)OCC(=O)O

Isomeric SMILES

C1CCCN(CC1)CC2=CC(=CC=C2)OCC(=O)O

InChI

InChI=1S/C15H21NO3/c17-15(18)12-19-14-7-5-6-13(10-14)11-16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11-12H2,(H,17,18)