5-[4-[2-(2-hydroxyethyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid

Systemtic Name: 5-[4-[2-(2-hydroxyethyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid Openeye Name: 5-[4-[2-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid CAS Name: 5-[4-[2-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid IUPAC Name: 5-[4-[2-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid Traditional Name: 5-[4-[2-(2-hydroxyethyl)-3-keto-1,4-benzoxazin-4-yl]butyl]-2-methyl-1,3-dioxane-2-carboxylic acid Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCN2C3=CC=CC=C3OC(C2=O)CCO)C(=O)O

Isomeric SMILES

CC1(OCC(CO1)CCCCN2C3=CC=CC=C3OC(C2=O)CCO)C(=O)O

InChI

InChI=1S/C20H27NO7/c1-20(19(24)25)26-12-14(13-27-20)6-4-5-10-21-15-7-2-3-8-16(15)28-17(9-11-22)18(21)23/h2-3,7-8,14,17,22H,4-6,9-13H2,1H3,(H,24,25)