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

Systemtic Name: 4-[(2S)-4-butyl-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-4-butyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2S)-4-butyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-4-butyl-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2S)-4-butyl-2-ethyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)CC

Isomeric SMILES

CCCCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)O[C@H](C1=O)CC

InChI

InChI=1S/C18H23NO5/c1-3-5-10-19-13-11-12(14(20)7-9-17(21)22)6-8-16(13)24-15(4-2)18(19)23/h6,8,11,15H,3-5,7,9-10H2,1-2H3,(H,21,22)/t15-/m0/s1