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

Systemtic Name: 4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxy-3,5-dimethyl-benzoate Openeye Name: 4-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-benzoate CAS Name: 4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylbenzoate IUPAC Name: 4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylbenzoate Traditional Name: 4-[(1S)-2-(butylamino)-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:

CCCCNC(=O)C(C)OC1=C(C=C(C=C1C)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4/c1-5-6-7-17-15(18)12(4)21-14-10(2)8-13(16(19)20)9-11(14)3/h8-9,12H,5-7H2,1-4H3,(H,17,18)(H,19,20)/p-1/t12-/m0/s1