[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-ethyl-2-propyl-quinoline-4-carboxylate CAS Name: 3-ethyl-2-propyl-4-quinolinecarboxylic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate Traditional Name: 3-ethyl-2-propyl-cinchoninic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C23H23IN2O3 MolecularWeight: 502.34479

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)C(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C23H23IN2O3/c1-3-8-19-17(4-2)22(18-11-5-6-12-20(18)26-19)23(28)29-14-21(27)25-16-10-7-9-15(24)13-16/h5-7,9-13H,3-4,8,14H2,1-2H3,(H,25,27)