4-[(2S)-1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]oxybenzoate

Systemtic Name: 4-[(2S)-1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: 4-[(1S)-2-(1,1-dimethylpropylamino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 4-[(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate IUPAC Name: 4-[(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-(tert-amylamino)-2-keto-1-methyl-ethoxy]benzoate Formula: C15H20NO4- MolecularWeight: 278.3236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C)OC1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)[C@H](C)OC1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C15H21NO4/c1-5-15(3,4)16-13(17)10(2)20-12-8-6-11(7-9-12)14(18)19/h6-10H,5H2,1-4H3,(H,16,17)(H,18,19)/p-1/t10-/m0/s1