4-(dimethylamino)butan-2-yl 3,4-dihydro-1H-isochromene-1-carboxylate; iodanylmethane

Systemtic Name: 4-(dimethylamino)butan-2-yl 3,4-dihydro-1H-isochromene-1-carboxylate; iodanylmethane Openeye Name: [3-(dimethylamino)-1-methyl-propyl] isochromane-1-carboxylate; iodomethane CAS Name: 3,4-dihydro-1H-2-benzopyran-1-carboxylic acid 4-(dimethylamino)butan-2-yl ester; iodomethane IUPAC Name: 4-(dimethylamino)butan-2-yl 3,4-dihydro-1H-isochromene-1-carboxylate; iodomethane Traditional Name: iodomethane; isochroman-1-carboxylic acid [3-(dimethylamino)-1-methyl-propyl] ester Formula: C18H29I2NO3 MolecularWeight: 561.2367

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(C)C)OC(=O)C1C2=CC=CC=C2CCO1.CI.CI

Isomeric SMILES

CC(CCN(C)C)OC(=O)C1C2=CC=CC=C2CCO1.CI.CI

InChI

InChI=1S/C16H23NO3.2CH3I/c1-12(8-10-17(2)3)20-16(18)15-14-7-5-4-6-13(14)9-11-19-15;2*1-2/h4-7,12,15H,8-11H2,1-3H3;2*1H3