1-[(2-bromophenyl)methyl]-4-oxidanylidene-piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)methyl]-4-oxidanylidene-piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)methyl]-4-oxo-piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)methyl]-4-oxo-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)methyl]-4-oxopiperidine-3-carboxylic acid Traditional Name: 1-(2-bromobenzyl)-4-keto-nipecotic acid Formula: C13H14BrNO3 MolecularWeight: 312.15916

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1=O)C(=O)O)CC2=CC=CC=C2Br

Isomeric SMILES

C1CN(CC(C1=O)C(=O)O)CC2=CC=CC=C2Br

InChI

InChI=1S/C13H14BrNO3/c14-11-4-2-1-3-9(11)7-15-6-5-12(16)10(8-15)13(17)18/h1-4,10H,5-8H2,(H,17,18)