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

Systemtic Name: 3,5-dimethyl-4-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]oxy-benzoate Openeye Name: 4-[(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-benzoate CAS Name: 3,5-dimethyl-4-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoate IUPAC Name: 3,5-dimethyl-4-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-(isobutylamino)-2-keto-1-methyl-ethoxy]-3,5-dimethyl-benzoate Formula: C16H22NO4- MolecularWeight: 292.35018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-9(2)8-17-15(18)12(5)21-14-10(3)6-13(16(19)20)7-11(14)4/h6-7,9,12H,8H2,1-5H3,(H,17,18)(H,19,20)/p-1/t12-/m0/s1