iodanylmethane; 2-morpholin-4-ylethyl 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: iodanylmethane; 2-morpholin-4-ylethyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: iodomethane; 2-morpholinoethyl 3-methylbenzofuran-2-carboxylate CAS Name: iodomethane; 3-methyl-2-benzofurancarboxylic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: iodomethane; 2-morpholin-4-ylethyl 3-methyl-1-benzofuran-2-carboxylate Traditional Name: iodomethane; 3-methylcoumarilic acid 2-morpholinoethyl ester Formula: C17H22INO4 MolecularWeight: 431.26535

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCCN3CCOCC3.CI

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCCN3CCOCC3.CI

InChI

InChI=1S/C16H19NO4.CH3I/c1-12-13-4-2-3-5-14(13)21-15(12)16(18)20-11-8-17-6-9-19-10-7-17;1-2/h2-5H,6-11H2,1H3;1H3