1,3-bis(diethylamino)propan-2-yl 3-methyl-1-benzofuran-2-carboxylate; iodanylethane

Systemtic Name: 1,3-bis(diethylamino)propan-2-yl 3-methyl-1-benzofuran-2-carboxylate; iodanylethane Openeye Name: [2-(diethylamino)-1-(diethylaminomethyl)ethyl] 3-methylbenzofuran-2-carboxylate; iodoethane CAS Name: iodoethane; 3-methyl-2-benzofurancarboxylic acid 1,3-bis(diethylamino)propan-2-yl ester IUPAC Name: 1,3-bis(diethylamino)propan-2-yl 3-methyl-1-benzofuran-2-carboxylate; iodoethane Traditional Name: iodoethane; 3-methylcoumarilic acid [2-(diethylamino)-1-(diethylaminomethyl)ethyl] ester Formula: C25H42I2N2O3 MolecularWeight: 672.42152

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CN(CC)CC)OC(=O)C1=C(C2=CC=CC=C2O1)C.CCI.CCI

Isomeric SMILES

CCN(CC)CC(CN(CC)CC)OC(=O)C1=C(C2=CC=CC=C2O1)C.CCI.CCI

InChI

InChI=1S/C21H32N2O3.2C2H5I/c1-6-22(7-2)14-17(15-23(8-3)9-4)25-21(24)20-16(5)18-12-10-11-13-19(18)26-20;2*1-2-3/h10-13,17H,6-9,14-15H2,1-5H3;2*2H2,1H3