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

Systemtic Name: 3-[(2S)-1-oxidanylidene-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]oxybenzoate Openeye Name: 3-[(1S)-1-methyl-2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethoxy]benzoate CAS Name: 3-[(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]oxybenzoate IUPAC Name: 3-[(2S)-1-oxo-1-[[(2S)-pentan-2-yl]amino]propan-2-yl]oxybenzoate Traditional Name: 3-[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylbutyl]amino]ethoxy]benzoate Formula: C15H20NO4- MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-4-6-10(2)16-14(17)11(3)20-13-8-5-7-12(9-13)15(18)19/h5,7-11H,4,6H2,1-3H3,(H,16,17)(H,18,19)/p-1/t10-,11-/m0/s1