4-[(3S)-2-oxidanylideneazepan-3-yl]oxybenzoate

Systemtic Name: 4-[(3S)-2-oxidanylideneazepan-3-yl]oxybenzoate Openeye Name: 4-[(3S)-2-oxoazepan-3-yl]oxybenzoate CAS Name: 4-[[(3S)-2-oxo-3-azepanyl]oxy]benzoate IUPAC Name: 4-[(3S)-2-oxoazepan-3-yl]oxybenzoate Traditional Name: 4-[(3S)-2-ketoazepan-3-yl]oxybenzoate Formula: C13H14NO4- MolecularWeight: 248.25456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CCNC(=O)[C@H](C1)OC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H15NO4/c15-12-11(3-1-2-8-14-12)18-10-6-4-9(5-7-10)13(16)17/h4-7,11H,1-3,8H2,(H,14,15)(H,16,17)/p-1/t11-/m0/s1