2-phenoxyethyl 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: 2-phenoxyethyl 1-(4-bromophenyl)carbonylpiperidine-4-carboxylate Openeye Name: 2-phenoxyethyl 1-(4-bromobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-bromophenyl)-oxomethyl]-4-piperidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 1-(4-bromobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-bromobenzoyl)isonipecotic acid 2-phenoxyethyl ester Formula: C21H22BrNO4 MolecularWeight: 432.30768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrNO4/c22-18-8-6-16(7-9-18)20(24)23-12-10-17(11-13-23)21(25)27-15-14-26-19-4-2-1-3-5-19/h1-9,17H,10-15H2