5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butoxy]-2-oxidanyl-4-oxidanylidene-chromene-3-carbonitrile

Systemtic Name: 5-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butoxy]-2-oxidanyl-4-oxidanylidene-chromene-3-carbonitrile Openeye Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butoxy]-2-hydroxy-4-oxo-chromene-3-carbonitrile CAS Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)butoxy]-2-hydroxy-4-oxo-1-benzopyran-3-carbonitrile IUPAC Name: 5-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)butoxy]-2-hydroxy-4-oxochromene-3-carbonitrile Traditional Name: 5-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butoxy]-2-hydroxy-4-keto-chromene-3-carbonitrile Formula: C25H25NO7 MolecularWeight: 451.4685

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OC(C)CCOC2=CC=CC3=C2C(=O)C(=C(O3)O)C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OC(C)CCOC2=CC=CC3=C2C(=O)C(=C(O3)O)C#N

InChI

InChI=1S/C25H25NO7/c1-4-6-17-19(10-9-16(15(3)27)23(17)28)32-14(2)11-12-31-20-7-5-8-21-22(20)24(29)18(13-26)25(30)33-21/h5,7-10,14,28,30H,4,6,11-12H2,1-3H3