4-oxidanylidene-3-(1-oxidanylpropan-2-yl)-2-(3-phenylpropanoyl)-1,5,2-dioxazecane-3-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-(1-oxidanylpropan-2-yl)-2-(3-phenylpropanoyl)-1,5,2-dioxazecane-3-carboxylic acid Openeye Name: 3-(2-hydroxy-1-methyl-ethyl)-4-oxo-2-(3-phenylpropanoyl)-1,5,2-dioxazecane-3-carboxylic acid CAS Name: 3-(1-hydroxypropan-2-yl)-4-oxo-2-(1-oxo-3-phenylpropyl)-1,5,2-dioxazecane-3-carboxylic acid IUPAC Name: 3-(1-hydroxypropan-2-yl)-4-oxo-2-(3-phenylpropanoyl)-1,5,2-dioxazecane-3-carboxylic acid Traditional Name: 2-hydrocinnamoyl-3-(2-hydroxy-1-methyl-ethyl)-4-keto-1,5,2-dioxazecane-3-carboxylic acid Formula: C20H27NO7 MolecularWeight: 393.43088

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C1(C(=O)OCCCCCON1C(=O)CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CO)C1(C(=O)OCCCCCON1C(=O)CCC2=CC=CC=C2)C(=O)O

InChI

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