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

Systemtic Name: 4-[(2S)-4-butyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-4-butyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2S)-4-butyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-3-4-9-18-13-10-12(14(19)6-8-16(20)21)5-7-15(13)23-11(2)17(18)22/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,20,21)/t11-/m0/s1