ethyl 1-[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[6-(3-bromophenyl)-2-methyl-pyridine-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[6-(3-bromophenyl)-2-methyl-3-pyridinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(3-bromophenyl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[6-(3-bromophenyl)-2-methyl-nicotinoyl]nipecotic acid ethyl ester Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN2O3/c1-3-27-21(26)16-7-5-11-24(13-16)20(25)18-9-10-19(23-14(18)2)15-6-4-8-17(22)12-15/h4,6,8-10,12,16H,3,5,7,11,13H2,1-2H3