4-[(3-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[(3-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Openeye Name: 4-[(3-bromophenyl)methyl]-1-tert-butoxycarbonyl-piperidine-4-carboxylic acid CAS Name: 4-[(3-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[(3-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: 4-(3-bromobenzyl)-1-tert-butoxycarbonyl-isonipecotic acid Formula: C18H24BrNO4 MolecularWeight: 398.29146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CC2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C18H24BrNO4/c1-17(2,3)24-16(23)20-9-7-18(8-10-20,15(21)22)12-13-5-4-6-14(19)11-13/h4-6,11H,7-10,12H2,1-3H3,(H,21,22)