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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4/c1-3-4-5-9-16-14(17)11(2)20-13-8-6-7-12(10-13)15(18)19/h6-8,10-11H,3-5,9H2,1-2H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1