5-(4-butoxyphenyl)-2-(3-phenylpropanoyl)cyclohexane-1,3-dione

Systemtic Name: 5-(4-butoxyphenyl)-2-(3-phenylpropanoyl)cyclohexane-1,3-dione Openeye Name: 5-(4-butoxyphenyl)-2-(3-phenylpropanoyl)cyclohexane-1,3-dione CAS Name: 5-(4-butoxyphenyl)-2-(1-oxo-3-phenylpropyl)cyclohexane-1,3-dione IUPAC Name: 5-(4-butoxyphenyl)-2-(3-phenylpropanoyl)cyclohexane-1,3-dione Traditional Name: 5-(4-butoxyphenyl)-2-hydrocinnamoyl-cyclohexane-1,3-quinone Formula: C25H28O4 MolecularWeight: 392.48742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H28O4/c1-2-3-15-29-21-12-10-19(11-13-21)20-16-23(27)25(24(28)17-20)22(26)14-9-18-7-5-4-6-8-18/h4-8,10-13,20,25H,2-3,9,14-17H2,1H3