[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C22H19IN2O3 MolecularWeight: 486.30233

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC(=CC=C4)I

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC(=CC=C4)I

InChI

InChI=1S/C22H19IN2O3/c23-14-6-5-7-15(12-14)24-20(26)13-28-22(27)21-16-8-1-3-10-18(16)25-19-11-4-2-9-17(19)21/h1,3,5-8,10,12H,2,4,9,11,13H2,(H,24,26)