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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)OC1=C(C=C(C=C1C)C(=O)[O-])C

Isomeric SMILES

CC[C@H](C)NC(=O)[C@H](C)OC1=C(C=C(C=C1C)C(=O)[O-])C

InChI

InChI=1S/C16H23NO4/c1-6-11(4)17-15(18)12(5)21-14-9(2)7-13(16(19)20)8-10(14)3/h7-8,11-12H,6H2,1-5H3,(H,17,18)(H,19,20)/p-1/t11-,12-/m0/s1