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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO2/c1-14-9-10-15(2)18(12-14)20(16-6-5-7-17(22)13-16)23-11-4-3-8-19(23)21(24)25/h5-7,9-10,12-13,19-20H,3-4,8,11H2,1-2H3,(H,24,25)