3-ethoxy-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-benzoate

Systemtic Name: 3-ethoxy-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-benzoate Openeye Name: 3-ethoxy-4-[(3S)-2-oxoazepan-3-yl]oxy-benzoate CAS Name: 3-ethoxy-4-[[(3S)-2-oxo-3-azepanyl]oxy]benzoate IUPAC Name: 3-ethoxy-4-[(3S)-2-oxoazepan-3-yl]oxybenzoate Traditional Name: 3-ethoxy-4-[(3S)-2-ketoazepan-3-yl]oxy-benzoate Formula: C15H18NO5- MolecularWeight: 292.30712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)[O-])OC2CCCCNC2=O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)[O-])O[C@H]2CCCCNC2=O

InChI

InChI=1S/C15H19NO5/c1-2-20-13-9-10(15(18)19)6-7-11(13)21-12-5-3-4-8-16-14(12)17/h6-7,9,12H,2-5,8H2,1H3,(H,16,17)(H,18,19)/p-1/t12-/m0/s1