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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-10(2)7-8-16-14(17)11(3)20-13-6-4-5-12(9-13)15(18)19/h4-6,9-11H,7-8H2,1-3H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1