2-[(2S)-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-4-(3-methylbutyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-isopentyl-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-(3-methylbutyl)-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-isoamyl-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C15H18NO4- MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C15H19NO4/c1-10(2)7-8-16-11-5-3-4-6-12(11)20-13(15(16)19)9-14(17)18/h3-6,10,13H,7-9H2,1-2H3,(H,17,18)/p-1/t13-/m0/s1