[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-iodanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-iodanyl-2-oxidanyl-benzoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 2-hydroxy-5-iodo-benzoate CAS Name: 2-hydroxy-5-iodobenzoic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-5-iodobenzoate Traditional Name: 2-hydroxy-5-iodo-benzoic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H20INO4 MolecularWeight: 501.31367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)I)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=CC(=C3)I)O

InChI

InChI=1S/C23H20INO4/c1-14-8-9-15(2)19(12-14)25-22(27)21(16-6-4-3-5-7-16)29-23(28)18-13-17(24)10-11-20(18)26/h3-13,21,26H,1-2H3,(H,25,27)