2-[(2S)-6-methyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-6-methyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-6-methyl-3-oxo-4-pentyl-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-6-methyl-3-oxo-4-pentyl-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-6-methyl-3-oxo-4-pentyl-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-amyl-3-keto-6-methyl-1,4-benzoxazin-2-yl]acetate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)C)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CCCCCN1C2=C(C=CC(=C2)C)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-3-4-5-8-17-12-9-11(2)6-7-13(12)21-14(16(17)20)10-15(18)19/h6-7,9,14H,3-5,8,10H2,1-2H3,(H,18,19)/p-1/t14-/m0/s1