1-[(2-bromophenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3,5-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(3,5-dimethylphenyl)methyl]nipecotic acid Formula: C21H24BrNO2 MolecularWeight: 402.32476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=CC=C2Br)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C21H24BrNO2/c1-14-10-15(2)12-17(11-14)20(18-7-3-4-8-19(18)22)23-9-5-6-16(13-23)21(24)25/h3-4,7-8,10-12,16,20H,5-6,9,13H2,1-2H3,(H,24,25)