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

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethoxy]benzoate Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethoxy]benzoate CAS Name: 4-[2-(1-azepanyl)-2-oxoethoxy]benzoate IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethoxy]benzoate Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethoxy]benzoate Formula: C15H18NO4- MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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