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

Systemtic Name: (phenylmethyl) 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: benzyl 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid benzyl ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H20BrNO3/c21-18-8-6-16(7-9-18)19(23)22-12-10-17(11-13-22)20(24)25-14-15-4-2-1-3-5-15/h1-9,17H,10-14H2