3-[(2-iodanylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid

Systemtic Name: 3-[(2-iodanylphenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-3-[(2-iodophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 3-[(2-iodophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 3-[(2-iodophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-3-(2-iodobenzyl)nipecotic acid Formula: C18H24INO4 MolecularWeight: 445.29193

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=CC=C2I)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC=CC=C2I)C(=O)O

InChI

InChI=1S/C18H24INO4/c1-17(2,3)24-16(23)20-10-6-9-18(12-20,15(21)22)11-13-7-4-5-8-14(13)19/h4-5,7-8H,6,9-12H2,1-3H3,(H,21,22)