ethyl 1-[2-(4-bromophenyl)carbonylphenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-bromophenyl)carbonylphenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-bromobenzoyl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[[2-[(4-bromophenyl)-oxomethyl]phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromobenzoyl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-bromobenzoyl)benzoyl]nipecotic acid ethyl ester Formula: C22H22BrNO4 MolecularWeight: 444.31838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrNO4/c1-2-28-22(27)16-6-5-13-24(14-16)21(26)19-8-4-3-7-18(19)20(25)15-9-11-17(23)12-10-15/h3-4,7-12,16H,2,5-6,13-14H2,1H3