[3-(diethylamino)-2,2-dimethyl-propyl] 3-methyl-1-benzofuran-2-carboxylate; iodanylmethane

Systemtic Name: [3-(diethylamino)-2,2-dimethyl-propyl] 3-methyl-1-benzofuran-2-carboxylate; iodanylmethane Openeye Name: [3-(diethylamino)-2,2-dimethyl-propyl] 3-methylbenzofuran-2-carboxylate; iodomethane CAS Name: iodomethane; 3-methyl-2-benzofurancarboxylic acid [3-(diethylamino)-2,2-dimethylpropyl] ester IUPAC Name: [3-(diethylamino)-2,2-dimethylpropyl] 3-methyl-1-benzofuran-2-carboxylate; iodomethane Traditional Name: iodomethane; 3-methylcoumarilic acid [3-(diethylamino)-2,2-dimethyl-propyl] ester Formula: C20H30INO3 MolecularWeight: 459.36157

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(C)(C)COC(=O)C1=C(C2=CC=CC=C2O1)C.CI

Isomeric SMILES

CCN(CC)CC(C)(C)COC(=O)C1=C(C2=CC=CC=C2O1)C.CI

InChI

InChI=1S/C19H27NO3.CH3I/c1-6-20(7-2)12-19(4,5)13-22-18(21)17-14(3)15-10-8-9-11-16(15)23-17;1-2/h8-11H,6-7,12-13H2,1-5H3;1H3