4-oxidanylidene-4-(3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl)butanoic acid

Systemtic Name: 4-oxidanylidene-4-(3-oxidanylidene-4-pentyl-1,4-benzoxazin-6-yl)butanoic acid Openeye Name: 4-oxo-4-(3-oxo-4-pentyl-1,4-benzoxazin-6-yl)butanoic acid CAS Name: 4-oxo-4-(3-oxo-4-pentyl-1,4-benzoxazin-6-yl)butanoic acid IUPAC Name: 4-oxo-4-(3-oxo-4-pentyl-1,4-benzoxazin-6-yl)butanoic acid Traditional Name: 4-(4-amyl-3-keto-1,4-benzoxazin-6-yl)-4-keto-butyric acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)O

Isomeric SMILES

CCCCCN1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)O

InChI

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