5-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)butoxy]-1,3-bis(oxidanylidene)indene-2-carbonitrile

Systemtic Name: 5-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)butoxy]-1,3-bis(oxidanylidene)indene-2-carbonitrile Openeye Name: 5-[4-(4-acetyl-3-hydroxy-2-propyl-phenyl)butoxy]-1,3-dioxo-indane-2-carbonitrile CAS Name: 5-[4-(4-acetyl-3-hydroxy-2-propylphenyl)butoxy]-1,3-dioxo-2-indenecarbonitrile IUPAC Name: 5-[4-(4-acetyl-3-hydroxy-2-propylphenyl)butoxy]-1,3-dioxoindene-2-carbonitrile Traditional Name: 5-[4-(4-acetyl-3-hydroxy-2-propyl-phenyl)butoxy]-1,3-diketo-indane-2-carbonitrile Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CCCCOC2=CC3=C(C=C2)C(=O)C(C3=O)C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CCCCOC2=CC3=C(C=C2)C(=O)C(C3=O)C#N

InChI

InChI=1S/C25H25NO5/c1-3-6-19-16(8-10-18(15(2)27)23(19)28)7-4-5-12-31-17-9-11-20-21(13-17)25(30)22(14-26)24(20)29/h8-11,13,22,28H,3-7,12H2,1-2H3