methyl (3S,4R)-4-(4-iodophenyl)-1-methyl-piperidine-3-carboxylate

Systemtic Name: methyl (3S,4R)-4-(4-iodophenyl)-1-methyl-piperidine-3-carboxylate Openeye Name: methyl (3S,4R)-4-(4-iodophenyl)-1-methyl-piperidine-3-carboxylate CAS Name: (3S,4R)-4-(4-iodophenyl)-1-methyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(4-iodophenyl)-1-methylpiperidine-3-carboxylate Traditional Name: (3S,4R)-4-(4-iodophenyl)-1-methyl-nipecotic acid methyl ester Formula: C14H18INO2 MolecularWeight: 359.20269

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)C(=O)OC)C2=CC=C(C=C2)I

Isomeric SMILES

CN1CC[C@H]([C@@H](C1)C(=O)OC)C2=CC=C(C=C2)I

InChI

InChI=1S/C14H18INO2/c1-16-8-7-12(13(9-16)14(17)18-2)10-3-5-11(15)6-4-10/h3-6,12-13H,7-9H2,1-2H3/t12-,13+/m0/s1