1-[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(3,5-dimethylphenyl)methyl]pipecolinic acid Formula: C21H24BrNO2 MolecularWeight: 402.32476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)Br)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)Br)N3CCCCC3C(=O)O)C

InChI

InChI=1S/C21H24BrNO2/c1-14-11-15(2)13-17(12-14)20(16-6-8-18(22)9-7-16)23-10-4-3-5-19(23)21(24)25/h6-9,11-13,19-20H,3-5,10H2,1-2H3,(H,24,25)