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

Systemtic Name: 3-methoxy-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-benzoate Openeye Name: 3-methoxy-4-[(3S)-2-oxoazepan-3-yl]oxy-benzoate CAS Name: 3-methoxy-4-[[(3S)-2-oxo-3-azepanyl]oxy]benzoate IUPAC Name: 3-methoxy-4-[(3S)-2-oxoazepan-3-yl]oxybenzoate Traditional Name: 4-[(3S)-2-ketoazepan-3-yl]oxy-3-methoxy-benzoate Formula: C14H16NO5- MolecularWeight: 278.28054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)[O-])OC2CCCCNC2=O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)[O-])O[C@H]2CCCCNC2=O

InChI

InChI=1S/C14H17NO5/c1-19-12-8-9(14(17)18)5-6-10(12)20-11-4-2-3-7-15-13(11)16/h5-6,8,11H,2-4,7H2,1H3,(H,15,16)(H,17,18)/p-1/t11-/m0/s1