3,5-dimethyl-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-benzoate

Systemtic Name: 3,5-dimethyl-4-[(3S)-2-oxidanylideneazepan-3-yl]oxy-benzoate Openeye Name: 3,5-dimethyl-4-[(3S)-2-oxoazepan-3-yl]oxy-benzoate CAS Name: 3,5-dimethyl-4-[[(3S)-2-oxo-3-azepanyl]oxy]benzoate IUPAC Name: 3,5-dimethyl-4-[(3S)-2-oxoazepan-3-yl]oxybenzoate Traditional Name: 4-[(3S)-2-ketoazepan-3-yl]oxy-3,5-dimethyl-benzoate Formula: C15H18NO4- MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2CCCCNC2=O)C)C(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O[C@H]2CCCCNC2=O)C)C(=O)[O-]

InChI

InChI=1S/C15H19NO4/c1-9-7-11(15(18)19)8-10(2)13(9)20-12-5-3-4-6-16-14(12)17/h7-8,12H,3-6H2,1-2H3,(H,16,17)(H,18,19)/p-1/t12-/m0/s1