3,5-dimethyl-4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate

Systemtic Name: 3,5-dimethyl-4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate Openeye Name: 3,5-dimethyl-4-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethoxy]benzoate CAS Name: 3,5-dimethyl-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxybenzoate IUPAC Name: 3,5-dimethyl-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-(methylamino)ethoxy]-3,5-dimethyl-benzoate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NC)C)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-7-5-10(13(16)17)6-8(2)11(7)18-9(3)12(15)14-4/h5-6,9H,1-4H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1