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

Systemtic Name: 3,5-dimethyl-4-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]oxy-benzoate Openeye Name: 4-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-benzoate CAS Name: 3,5-dimethyl-4-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoate IUPAC Name: 3,5-dimethyl-4-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethoxy]-3,5-dimethyl-benzoate Formula: C15H20NO4- MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-8(2)16-14(17)11(5)20-13-9(3)6-12(15(18)19)7-10(13)4/h6-8,11H,1-5H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1