5-bromanyl-2-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-benzoate

Systemtic Name: 5-bromanyl-2-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-benzoate Openeye Name: 5-bromo-2-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethoxy]benzoate CAS Name: 5-bromo-2-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxybenzoate IUPAC Name: 5-bromo-2-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]oxybenzoate Traditional Name: 2-[(1S)-2-(amylamino)-2-keto-1-methyl-ethoxy]-5-bromo-benzoate Formula: C15H19BrNO4- MolecularWeight: 357.21966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO4/c1-3-4-5-8-17-14(18)10(2)21-13-7-6-11(16)9-12(13)15(19)20/h6-7,9-10H,3-5,8H2,1-2H3,(H,17,18)(H,19,20)/p-1/t10-/m0/s1