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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)(CC2=CC(=CC=C2)Br)C(=O)O

InChI

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