[3-(dimethylamino)-2,2-dimethyl-propyl] 5-methyl-1-benzofuran-2-carboxylate; iodanylethane

Systemtic Name: [3-(dimethylamino)-2,2-dimethyl-propyl] 5-methyl-1-benzofuran-2-carboxylate; iodanylethane Openeye Name: [3-(dimethylamino)-2,2-dimethyl-propyl] 5-methylbenzofuran-2-carboxylate; iodoethane CAS Name: iodoethane; 5-methyl-2-benzofurancarboxylic acid [3-(dimethylamino)-2,2-dimethylpropyl] ester IUPAC Name: [3-(dimethylamino)-2,2-dimethylpropyl] 5-methyl-1-benzofuran-2-carboxylate; iodoethane Traditional Name: iodoethane; 5-methylcoumarilic acid [3-(dimethylamino)-2,2-dimethyl-propyl] ester Formula: C19H28INO3 MolecularWeight: 445.33499

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Descriptors Computed from Structure

Canonical SMILES:

CCI.CC1=CC2=C(C=C1)OC(=C2)C(=O)OCC(C)(C)CN(C)C

Isomeric SMILES

CCI.CC1=CC2=C(C=C1)OC(=C2)C(=O)OCC(C)(C)CN(C)C

InChI

InChI=1S/C17H23NO3.C2H5I/c1-12-6-7-14-13(8-12)9-15(21-14)16(19)20-11-17(2,3)10-18(4)5;1-2-3/h6-9H,10-11H2,1-5H3;2H2,1H3