methyl (1R,3S)-3-(4-iodophenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (1R,3S)-3-(4-iodophenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (1R,3S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (1R,3S)-3-[(4-iodophenyl)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (1R,3S)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C17H20INO4 MolecularWeight: 429.24947

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OC(=O)C3=CC=C(C=C3)I)C(=O)OC

Isomeric SMILES

CN1[C@@H]2CCC1C([C@H](C2)OC(=O)C3=CC=C(C=C3)I)C(=O)OC

InChI

InChI=1S/C17H20INO4/c1-19-12-7-8-13(19)15(17(21)22-2)14(9-12)23-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13?,14+,15?/m1/s1