[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3,4-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 4-(3,4-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethylphenyl)-4-oxobutanoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethylphenyl)-4-keto-butyric acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C20H20INO4 MolecularWeight: 465.28157

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)I)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)I)C

InChI

InChI=1S/C20H20INO4/c1-13-6-7-15(10-14(13)2)18(23)8-9-20(25)26-12-19(24)22-17-5-3-4-16(21)11-17/h3-7,10-11H,8-9,12H2,1-2H3,(H,22,24)