methyl (3S)-3-(4-azanyl-3-iodanyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (3S)-3-(4-azanyl-3-iodanyl-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S)-3-(4-amino-3-iodo-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S)-3-(4-amino-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S)-3-(4-amino-3-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S)-3-(4-amino-3-iodo-phenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C16H21IN2O2 MolecularWeight: 400.25461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C2CCC1C([C@H](C2)C3=CC(=C(C=C3)N)I)C(=O)OC

InChI

InChI=1S/C16H21IN2O2/c1-19-10-4-6-14(19)15(16(20)21-2)11(8-10)9-3-5-13(18)12(17)7-9/h3,5,7,10-11,14-15H,4,6,8,18H2,1-2H3/t10?,11-,14?,15?/m1/s1