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

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate CAS Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(4-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl] 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate Traditional Name: 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid [2-(4-iodoanilino)-2-keto-ethyl] ester Formula: C23H21IN2O3 MolecularWeight: 500.32891

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC=C(C=C4)I

Isomeric SMILES

CC1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)NC4=CC=C(C=C4)I

InChI

InChI=1S/C23H21IN2O3/c1-14-6-11-20-18(12-14)22(17-4-2-3-5-19(17)26-20)23(28)29-13-21(27)25-16-9-7-15(24)8-10-16/h2-5,7-10,14H,6,11-13H2,1H3,(H,25,27)