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

Systemtic Name: 2-[3-(2-chlorophenyl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione Openeye Name: 2-[3-(2-chlorophenyl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione CAS Name: 2-[3-(2-chlorophenyl)-1-oxopropyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[3-(2-chlorophenyl)propanoyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione Traditional Name: 2-[3-(2-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=CC=C3Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=O)C(C(=O)C2)C(=O)CCC3=CC=CC=C3Cl

InChI

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