methyl 3-(4-iodophenyl)-8-(2-methylpropanoyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-(4-iodophenyl)-8-(2-methylpropanoyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-(4-iodophenyl)-8-(2-methylpropanoyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(4-iodophenyl)-8-(2-methyl-1-oxopropyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-iodophenyl)-8-(2-methylpropanoyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(4-iodophenyl)-8-isobutyryl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C19H24INO3 MolecularWeight: 441.30323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC

Isomeric SMILES

CC(C)C(=O)N1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC

InChI

InChI=1S/C19H24INO3/c1-11(2)18(22)21-14-8-9-16(21)17(19(23)24-3)15(10-14)12-4-6-13(20)7-5-12/h4-7,11,14-17H,8-10H2,1-3H3