3-[(2-bromophenyl)methyl]-2-methyl-4-oxidanylidene-1-(phenylcarbonyl)piperidine-3-carboxylic acid

Systemtic Name: 3-[(2-bromophenyl)methyl]-2-methyl-4-oxidanylidene-1-(phenylcarbonyl)piperidine-3-carboxylic acid Openeye Name: 1-benzoyl-3-[(2-bromophenyl)methyl]-2-methyl-4-oxo-piperidine-3-carboxylic acid CAS Name: 1-benzoyl-3-[(2-bromophenyl)methyl]-2-methyl-4-oxo-3-piperidinecarboxylic acid IUPAC Name: 1-benzoyl-3-[(2-bromophenyl)methyl]-2-methyl-4-oxopiperidine-3-carboxylic acid Traditional Name: 1-benzoyl-3-(2-bromobenzyl)-4-keto-2-methyl-nipecotic acid Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)CCN1C(=O)C2=CC=CC=C2)(CC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

CC1C(C(=O)CCN1C(=O)C2=CC=CC=C2)(CC3=CC=CC=C3Br)C(=O)O

InChI

InChI=1S/C21H20BrNO4/c1-14-21(20(26)27,13-16-9-5-6-10-17(16)22)18(24)11-12-23(14)19(25)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,26,27)