4-[(2S)-2-ethyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2S)-2-ethyl-3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-2-ethyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2S)-2-ethyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-2-ethyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2S)-4-amyl-2-ethyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-3-5-6-11-20-14-12-13(15(21)8-10-18(22)23)7-9-17(14)25-16(4-2)19(20)24/h7,9,12,16H,3-6,8,10-11H2,1-2H3,(H,22,23)/t16-/m0/s1