2-[4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]ethanoate

Systemtic Name: 2-[4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]ethanoate Openeye Name: 2-[4-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethoxy]phenyl]acetate CAS Name: 2-[4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]acetate IUPAC Name: 2-[4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]acetate Traditional Name: 2-[4-[(1S)-2-(butylamino)-2-keto-1-methyl-ethoxy]phenyl]acetate Formula: C15H20NO4- MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-3-4-9-16-15(19)11(2)20-13-7-5-12(6-8-13)10-14(17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,18)/p-1/t11-/m0/s1