2-[3-(4-chlorophenyl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[3-(4-chlorophenyl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[3-(4-chlorophenyl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[3-(4-chlorophenyl)-1-oxopropyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[3-(4-chlorophenyl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[3-(4-chlorophenyl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-quinone Formula: C22H21ClO4 MolecularWeight: 384.85274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClO4/c1-27-18-9-5-15(6-10-18)16-12-20(25)22(21(26)13-16)19(24)11-4-14-2-7-17(23)8-3-14/h2-3,5-10,16,22H,4,11-13H2,1H3