1-(3-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: 1-(3-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: 1-(3-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-4-piperidinecarboxylate IUPAC Name: 1-(3-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(3-bromobenzoyl)isonipecotate Formula: C13H13BrNO3- MolecularWeight: 311.15122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(=O)C2=CC(=CC=C2)Br

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C(=O)C2=CC(=CC=C2)Br

InChI

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