3-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxybenzoate

Systemtic Name: 3-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: 3-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 3-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxybenzoate IUPAC Name: 3-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 3-[(1S)-2-(butylamino)-2-keto-1-methyl-ethoxy]benzoate Formula: C14H18NO4- MolecularWeight: 264.29702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)OC1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-3-4-8-15-13(16)10(2)19-12-7-5-6-11(9-12)14(17)18/h5-7,9-10H,3-4,8H2,1-2H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1