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

Systemtic Name: 2-[3-(azepan-1-ylcarbonyl)phenoxy]ethanoic acid Openeye Name: 2-[3-(azepane-1-carbonyl)phenoxy]acetic acid CAS Name: 2-[3-[1-azepanyl(oxo)methyl]phenoxy]acetic acid IUPAC Name: 2-[3-(azepane-1-carbonyl)phenoxy]acetic acid Traditional Name: 2-[3-(azepane-1-carbonyl)phenoxy]acetic acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4/c17-14(18)11-20-13-7-5-6-12(10-13)15(19)16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11H2,(H,17,18)