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

Systemtic Name: phenyl (3S,4R)-3-(4-iodophenyl)carbonyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: phenyl (3S,4R)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4R)-3-[(4-iodophenyl)-oxomethoxy]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid phenyl ester IUPAC Name: phenyl (3S,4R)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4R)-3-(4-iodobenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid phenyl ester Formula: C22H22INO4 MolecularWeight: 491.31885

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1C(C(C2)OC(=O)C3=CC=C(C=C3)I)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CN1C2CCC1[C@H]([C@H](C2)OC(=O)C3=CC=C(C=C3)I)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H22INO4/c1-24-16-11-12-18(24)20(22(26)27-17-5-3-2-4-6-17)19(13-16)28-21(25)14-7-9-15(23)10-8-14/h2-10,16,18-20H,11-13H2,1H3/t16?,18?,19-,20+/m0/s1