[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H21ClO5 MolecularWeight: 388.84144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C21H21ClO5/c1-13-4-5-14(2)16(10-13)18(23)7-9-21(25)27-12-19(24)15-6-8-20(26-3)17(22)11-15/h4-6,8,10-11H,7,9,12H2,1-3H3