2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]ethanoate

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]phenyl]ethanoate Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethoxy]phenyl]acetate CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethoxy]phenyl]acetate IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl]acetate Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethoxy]phenyl]acetate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)CC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=CC=C(C=C2)CC(=O)[O-]

InChI

InChI=1S/C16H21NO4/c18-15(17-9-3-1-2-4-10-17)12-21-14-7-5-13(6-8-14)11-16(19)20/h5-8H,1-4,9-12H2,(H,19,20)/p-1